 Entering Gaussian System, Link 0=g16
 Input=09_L-alanine_conformer03_B3LYPDBJ_def2SVPDr.in
 Output=09_L-alanine_conformer03_B3LYPDBJ_def2SVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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                616.49374031            -0.43647161872D-01
                139.96644001            -0.19431465884
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            ****
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            ****
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                885.61225996             0.10071576809D-01
                201.13604899             0.45132454056D-01
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            ****
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               1038.4346419              0.99966546241D-02
                235.87581480             0.44910165101D-01
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            ****
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            P    1   1.00
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            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_def2SVPD/09_L-alanine/Gau-240762.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_def2SVPD/09_L-alanine/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    240763.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=48GB
 %chk=09_L-alanine_conformer03_B3LYPDBJ_def2SVPDr
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 17:26:41 2021, MaxMem=  6442450944 cpu:               0.5 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "09_L-alanine_conformer03_B3LYPDBJ_def2SVPDr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -1.234360000000      1.227627000000      0.493636000000
  C                                                -0.619746000000      0.176499000000     -0.427789000000
  C                                                 0.874662000000      0.040013000000     -0.091045000000
  O                                                 1.684560000000      0.876942000000     -0.381380000000
  N                                                -1.288697000000     -1.120012000000     -0.254191000000
  O                                                 1.182025000000     -1.074891000000      0.583386000000
  H                                                -0.668029000000      0.537376000000     -1.458500000000
  H                                                -2.272687000000      1.417776000000      0.215233000000
  H                                                -1.207375000000      0.889403000000      1.531687000000
  H                                                -0.678004000000      2.159964000000      0.419739000000
  H                                                -2.241749000000     -1.012991000000      0.067124000000
  H                                                -1.305328000000     -1.656641000000     -1.112376000000
  H                                                 0.338033000000     -1.576061000000      0.651570000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     13 NQM=       13 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          16          14          16           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  15.9949146  14.0030740  15.9949146   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           2           0           1           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   5.6000000   4.5500000   5.6000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   8.0000000   7.0000000   8.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13
 IAtWgt=           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.093368
 Leave Link  101 at Thu Aug 12 17:26:42 2021, MaxMem=  6442450944 cpu:               2.7 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.234360    1.227627    0.493636
      2          6           0       -0.619746    0.176499   -0.427789
      3          6           0        0.874662    0.040013   -0.091045
      4          8           0        1.684560    0.876942   -0.381380
      5          7           0       -1.288697   -1.120012   -0.254191
      6          8           0        1.182025   -1.074891    0.583386
      7          1           0       -0.668029    0.537376   -1.458500
      8          1           0       -2.272687    1.417776    0.215233
      9          1           0       -1.207375    0.889403    1.531687
     10          1           0       -0.678004    2.159964    0.419739
     11          1           0       -2.241749   -1.012991    0.067124
     12          1           0       -1.305328   -1.656641   -1.112376
     13          1           0        0.338033   -1.576061    0.651570
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.526972   0.000000
     3  C    2.490031   1.537947   0.000000
     4  O    3.067365   2.408859   1.200283   0.000000
     5  N    2.464469   1.469208   2.460162   3.583889   0.000000
     6  O    3.338946   2.415539   1.338783   2.234495   2.609222
     7  H    2.146628   1.093128   2.120660   2.609630   2.140683
     8  H    1.091690   2.164823   3.449325   4.038348   2.762058
     9  H    1.092096   2.166353   2.773013   3.467459   2.689558
    10  H    1.088230   2.157737   2.676913   2.805289   3.403729
    11  H    2.493414   2.071405   3.293304   4.380514   1.011437
    12  H    3.302016   2.073423   2.945184   3.986581   1.012289
    13  H    3.218389   2.270203   1.857725   2.982842   1.916934
                    6          7          8          9         10
     6  O    0.000000
     7  H    3.192398   0.000000
     8  H    4.275975   2.480204   0.000000
     9  H    3.235268   3.058764   1.774012   0.000000
    10  H    3.735074   2.482070   1.770785   1.769460   0.000000
    11  H    3.463031   2.684727   2.435472   2.614188   3.554895
    12  H    3.066100   2.310771   3.485738   3.671921   4.160215
    13  H    0.983943   3.151376   3.996162   3.039968   3.878654
                   11         12         13
    11  H    0.000000
    12  H    1.637800   0.000000
    13  H    2.704422   2.412184   0.000000
 Stoichiometry    C3H7NO2
 Framework group  C1[X(C3H7NO2)]
 Deg. of freedom    33
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.26D-15
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.234360    1.227627    0.493636
      2          6           0       -0.619746    0.176499   -0.427789
      3          6           0        0.874662    0.040013   -0.091045
      4          8           0        1.684560    0.876942   -0.381380
      5          7           0       -1.288697   -1.120012   -0.254191
      6          8           0        1.182025   -1.074891    0.583386
      7          1           0       -0.668029    0.537376   -1.458500
      8          1           0       -2.272687    1.417776    0.215233
      9          1           0       -1.207375    0.889403    1.531687
     10          1           0       -0.678004    2.159964    0.419739
     11          1           0       -2.241749   -1.012991    0.067124
     12          1           0       -1.305328   -1.656641   -1.112376
     13          1           0        0.338033   -1.576061    0.651570
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           4.9962844           3.2162425           2.3194998
 Leave Link  202 at Thu Aug 12 17:26:42 2021, MaxMem=  6442450944 cpu:               0.8 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       7      8      9     10     11     12     13
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       5
 S 5 1.00
     Exponent=  1.7128415853D+03 Coefficients= -5.3934125305D-03
     Exponent=  2.5764812677D+02 Coefficients= -4.0221581118D-02
     Exponent=  5.8458245853D+01 Coefficients= -1.7931144990D-01
     Exponent=  1.6198367905D+01 Coefficients= -4.6376317823D-01
     Exponent=  5.0052600809D+00 Coefficients= -4.4171422662D-01
 S 1 1.00
     Exponent=  5.8731856571D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.8764592253D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  9.6171241529D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.3571470233D+01 Coefficients= -4.0072398852D-02
     Exponent=  2.9257372874D+00 Coefficients= -2.1807045028D-01
     Exponent=  7.9927750754D-01 Coefficients= -5.1294466049D-01
 P 1 1.00
     Exponent=  2.1954348034D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.0000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.6697708112D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       4      6
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   194 symmetry adapted cartesian basis functions of A   symmetry.
 There are   182 symmetry adapted basis functions of A   symmetry.
   182 basis functions,   268 primitive gaussians,   194 cartesian basis functions
    24 alpha electrons       24 beta electrons
       nuclear repulsion energy       250.8298141574 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   13 NActive=   13 NUniq=   13 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0165571857 Hartrees.
 Nuclear repulsion after empirical dispersion term =      250.8132569717 Hartrees.
 Leave Link  301 at Thu Aug 12 17:26:43 2021, MaxMem=  6442450944 cpu:               6.4 elap:               1.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   182 RedAO= T EigKep=  6.41D-05  NBF=   182
 NBsUse=   182 1.00D-06 EigRej= -1.00D+00 NBFU=   182
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   194   194   194   194   194 MxSgAt=    13 MxSgA2=    13.
 Leave Link  302 at Thu Aug 12 17:26:44 2021, MaxMem=  6442450944 cpu:               2.6 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 17:26:44 2021, MaxMem=  6442450944 cpu:               1.1 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "09_L-alanine_conformer03_B3LYPDBJ_def2SVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 17:26:46 2021, MaxMem=  6442450944 cpu:               8.8 elap:               1.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  6442450944 LenX=  6442372121 LenY=  6442334044
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 990000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -323.554237116218    
 DIIS: error= 3.55D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -323.554237116218     IErMin= 1 ErrMin= 3.55D-03
 ErrMax= 3.55D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.43D-03 BMatP= 4.43D-03
 IDIUse=3 WtCom= 9.64D-01 WtEn= 3.55D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.629 Goal=   None    Shift=    0.000
 GapD=    0.629 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=3.86D-03 MaxDP=8.96D-02              OVMax= 1.06D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  3.83D-03    CP:  9.80D-01
 E= -323.557923720023     Delta-E=       -0.003686603805 Rises=F Damp=F
 DIIS: error= 6.63D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -323.557923720023     IErMin= 2 ErrMin= 6.63D-04
 ErrMax= 6.63D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.27D-04 BMatP= 4.43D-03
 IDIUse=3 WtCom= 9.93D-01 WtEn= 6.63D-03
 Coeff-Com:  0.245D-01 0.976D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.243D-01 0.976D+00
 Gap=     0.267 Goal=   None    Shift=    0.000
 RMSDP=2.24D-04 MaxDP=8.18D-03 DE=-3.69D-03 OVMax= 4.55D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.75D-04    CP:  9.79D-01  1.04D+00
 E= -323.557896714440     Delta-E=        0.000027005583 Rises=F Damp=F
 DIIS: error= 7.28D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -323.557923720023     IErMin= 2 ErrMin= 6.63D-04
 ErrMax= 7.28D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.80D-04 BMatP= 1.27D-04
 IDIUse=3 WtCom= 2.70D-01 WtEn= 7.30D-01
 Coeff-Com: -0.227D-01 0.550D+00 0.473D+00
 Coeff-En:   0.000D+00 0.551D+00 0.449D+00
 Coeff:     -0.615D-02 0.551D+00 0.456D+00
 Gap=     0.265 Goal=   None    Shift=    0.000
 RMSDP=8.54D-05 MaxDP=4.21D-03 DE= 2.70D-05 OVMax= 2.25D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  3.34D-05    CP:  9.79D-01  1.03D+00  5.56D-01
 E= -323.558039698173     Delta-E=       -0.000142983733 Rises=F Damp=F
 DIIS: error= 6.34D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -323.558039698173     IErMin= 4 ErrMin= 6.34D-05
 ErrMax= 6.34D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.77D-06 BMatP= 1.27D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.117D-01 0.237D+00 0.222D+00 0.553D+00
 Coeff:     -0.117D-01 0.237D+00 0.222D+00 0.553D+00
 Gap=     0.265 Goal=   None    Shift=    0.000
 RMSDP=1.46D-05 MaxDP=5.36D-04 DE=-1.43D-04 OVMax= 4.27D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.28D-05    CP:  9.79D-01  1.03D+00  5.73D-01  8.60D-01
 E= -323.558041816746     Delta-E=       -0.000002118572 Rises=F Damp=F
 DIIS: error= 1.88D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -323.558041816746     IErMin= 5 ErrMin= 1.88D-05
 ErrMax= 1.88D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.58D-07 BMatP= 2.77D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.184D-02 0.233D-01 0.273D-01 0.247D+00 0.704D+00
 Coeff:     -0.184D-02 0.233D-01 0.273D-01 0.247D+00 0.704D+00
 Gap=     0.265 Goal=   None    Shift=    0.000
 RMSDP=4.15D-06 MaxDP=9.80D-05 DE=-2.12D-06 OVMax= 1.31D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.92D-06    CP:  9.79D-01  1.03D+00  5.79D-01  8.88D-01  8.03D-01
 E= -323.558042015303     Delta-E=       -0.000000198557 Rises=F Damp=F
 DIIS: error= 1.04D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -323.558042015303     IErMin= 6 ErrMin= 1.04D-05
 ErrMax= 1.04D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.21D-08 BMatP= 2.58D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.281D-03-0.214D-02 0.551D-03 0.104D+00 0.399D+00 0.500D+00
 Coeff:     -0.281D-03-0.214D-02 0.551D-03 0.104D+00 0.399D+00 0.500D+00
 Gap=     0.265 Goal=   None    Shift=    0.000
 RMSDP=1.52D-06 MaxDP=7.62D-05 DE=-1.99D-07 OVMax= 7.66D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.11D-06    CP:  9.79D-01  1.03D+00  5.76D-01  8.89D-01  7.97D-01
                    CP:  6.86D-01
 E= -323.558042045240     Delta-E=       -0.000000029937 Rises=F Damp=F
 DIIS: error= 2.75D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -323.558042045240     IErMin= 7 ErrMin= 2.75D-06
 ErrMax= 2.75D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.39D-09 BMatP= 4.21D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.679D-04-0.405D-02-0.327D-02 0.293D-01 0.147D+00 0.302D+00
 Coeff-Com:  0.529D+00
 Coeff:      0.679D-04-0.405D-02-0.327D-02 0.293D-01 0.147D+00 0.302D+00
 Coeff:      0.529D+00
 Gap=     0.265 Goal=   None    Shift=    0.000
 RMSDP=5.05D-07 MaxDP=1.47D-05 DE=-2.99D-08 OVMax= 2.63D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  3.80D-07    CP:  9.79D-01  1.03D+00  5.77D-01  8.91D-01  8.10D-01
                    CP:  6.90D-01  7.62D-01
 E= -323.558042049008     Delta-E=       -0.000000003768 Rises=F Damp=F
 DIIS: error= 1.25D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -323.558042049008     IErMin= 8 ErrMin= 1.25D-06
 ErrMax= 1.25D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.56D-10 BMatP= 5.39D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.538D-04-0.217D-02-0.203D-02 0.954D-02 0.585D-01 0.148D+00
 Coeff-Com:  0.330D+00 0.458D+00
 Coeff:      0.538D-04-0.217D-02-0.203D-02 0.954D-02 0.585D-01 0.148D+00
 Coeff:      0.330D+00 0.458D+00
 Gap=     0.265 Goal=   None    Shift=    0.000
 RMSDP=1.75D-07 MaxDP=6.03D-06 DE=-3.77D-09 OVMax= 8.92D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.34D-07    CP:  9.79D-01  1.03D+00  5.77D-01  8.91D-01  8.11D-01
                    CP:  6.97D-01  7.39D-01  7.43D-01
 E= -323.558042049512     Delta-E=       -0.000000000504 Rises=F Damp=F
 DIIS: error= 2.60D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -323.558042049512     IErMin= 9 ErrMin= 2.60D-07
 ErrMax= 2.60D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.47D-11 BMatP= 6.56D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.190D-04-0.508D-03-0.584D-03 0.286D-03 0.720D-02 0.284D-01
 Coeff-Com:  0.774D-01 0.227D+00 0.661D+00
 Coeff:      0.190D-04-0.508D-03-0.584D-03 0.286D-03 0.720D-02 0.284D-01
 Coeff:      0.774D-01 0.227D+00 0.661D+00
 Gap=     0.265 Goal=   None    Shift=    0.000
 RMSDP=5.65D-08 MaxDP=2.61D-06 DE=-5.04D-10 OVMax= 1.32D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  3.74D-08    CP:  9.79D-01  1.03D+00  5.77D-01  8.91D-01  8.11D-01
                    CP:  7.02D-01  7.59D-01  7.80D-01  8.48D-01
 E= -323.558042049541     Delta-E=       -0.000000000029 Rises=F Damp=F
 DIIS: error= 6.38D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -323.558042049541     IErMin=10 ErrMin= 6.38D-08
 ErrMax= 6.38D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.83D-12 BMatP= 3.47D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.375D-05-0.368D-04-0.917D-04-0.777D-03-0.206D-02 0.400D-04
 Coeff-Com:  0.575D-02 0.735D-01 0.310D+00 0.614D+00
 Coeff:      0.375D-05-0.368D-04-0.917D-04-0.777D-03-0.206D-02 0.400D-04
 Coeff:      0.575D-02 0.735D-01 0.310D+00 0.614D+00
 Gap=     0.265 Goal=   None    Shift=    0.000
 RMSDP=1.49D-08 MaxDP=4.19D-07 DE=-2.91D-11 OVMax= 3.63D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.16D-08    CP:  9.79D-01  1.03D+00  5.77D-01  8.91D-01  8.11D-01
                    CP:  7.02D-01  7.62D-01  7.92D-01  8.49D-01  7.96D-01
 E= -323.558042049545     Delta-E=       -0.000000000004 Rises=F Damp=F
 DIIS: error= 1.98D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -323.558042049545     IErMin=11 ErrMin= 1.98D-08
 ErrMax= 1.98D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.56D-13 BMatP= 2.83D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.254D-07 0.243D-04 0.113D-04-0.315D-03-0.135D-02-0.200D-02
 Coeff-Com: -0.396D-02 0.117D-01 0.622D-01 0.240D+00 0.694D+00
 Coeff:     -0.254D-07 0.243D-04 0.113D-04-0.315D-03-0.135D-02-0.200D-02
 Coeff:     -0.396D-02 0.117D-01 0.622D-01 0.240D+00 0.694D+00
 Gap=     0.265 Goal=   None    Shift=    0.000
 RMSDP=5.22D-09 MaxDP=2.79D-07 DE=-4.09D-12 OVMax= 9.29D-08

 SCF Done:  E(RB3LYP) =  -323.558042050     A.U. after   11 cycles
            NFock= 11  Conv=0.52D-08     -V/T= 2.0098
 KE= 3.204123041657D+02 PE=-1.257258047516D+03 EE= 3.624744443287D+02
 Leave Link  502 at Thu Aug 12 17:27:04 2021, MaxMem=  6442450944 cpu:             135.4 elap:              17.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   182
 NBasis=   182 NAE=    24 NBE=    24 NFC=     0 NFV=     0
 NROrb=    182 NOA=    24 NOB=    24 NVA=   158 NVB=   158

 **** Warning!!: The largest alpha MO coefficient is  0.29418857D+02

 Leave Link  801 at Thu Aug 12 17:27:04 2021, MaxMem=  6442450944 cpu:               1.1 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         3945 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    6442450944 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.093368
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          13
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 6.32D-14 8.33D-09 XBig12= 1.00D+00 3.20D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 6.32D-14 8.33D-09 XBig12= 2.68D-01 7.34D-02.
     11 vectors produced by pass  2 Test12= 6.32D-14 8.33D-09 XBig12= 3.11D-02 3.13D-02.
     11 vectors produced by pass  3 Test12= 6.32D-14 8.33D-09 XBig12= 8.76D-04 7.35D-03.
     11 vectors produced by pass  4 Test12= 6.32D-14 8.33D-09 XBig12= 1.88D-05 1.24D-03.
     11 vectors produced by pass  5 Test12= 6.32D-14 8.33D-09 XBig12= 3.32D-07 1.10D-04.
     11 vectors produced by pass  6 Test12= 6.32D-14 8.33D-09 XBig12= 5.19D-09 1.30D-05.
     11 vectors produced by pass  7 Test12= 6.32D-14 8.33D-09 XBig12= 4.55D-11 1.45D-06.
      5 vectors produced by pass  8 Test12= 6.32D-14 8.33D-09 XBig12= 2.04D-13 7.42D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.13D-14
 Solved reduced A of dimension    93 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.093368:
                1             2             3 
      1  0.607051D+02
      2  0.216635D+01  0.585095D+02
      3 -0.236037D+00 -0.238350D+01  0.478007D+02
 Isotropic polarizability for W=    0.093368       55.67 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.093368:
                 1             2             3 
      1  -0.376069D+02  0.289985D+01 -0.303679D+01
      2   0.187846D+02  0.848173D+01  0.330428D+01
      3   0.188223D+02 -0.113816D+02 -0.267482D+00
      4   0.209152D+02 -0.252870D+02 -0.186978D+02
      5  -0.130568D+01 -0.185600D+02 -0.319139D+02
      6  -0.115304D+02  0.354849D+01  0.761644D+01
 Dipole-magnetic dipole polarizability for W=    0.093368:
                 1             2             3 
      1   0.299572D+01 -0.198688D+01 -0.704300D+01
      2   0.173168D+00 -0.634118D+01 -0.166034D+02
      3  -0.110698D+01  0.110819D+02  0.312222D+01
 DQ contribution to OR G for W=    0.093368:
                 1             2             3 
      1   0.137858D+00  0.244212D+00 -0.189980D+02
      2  -0.173111D+01 -0.716744D+01 -0.507362D+02
      3   0.180154D+02  0.440716D+02  0.702958D+01
 Optical Rotation G' tensor for W=    0.093368:
                 1             2             3 
      1  -0.157502D+01  0.267564D+00  0.191466D+01
      2   0.267564D+00  0.126711D+01  0.547297D+00
      3   0.191466D+01  0.547297D+00  0.846655D-01
 OR G Eigenvalues:    -2.8334     0.6997     1.9104  Iso=     0.0744
 Eigenvectors:
   (1)   0.834290   0.019103  -0.550995
   (2)  -0.389367   0.727965  -0.564323
   (3)   0.390324   0.685349   0.614772
 w=    0.093368 a.u., Optical Rotation Beta=      0.0744 au.
 Molar Mass =     89.0938 grams/mole, [Alpha] ( 4880.0 A) =       47.08 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   16653 ScalPx= 4.17D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   16653 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.01D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.05D-14 2.78D-09 XBig12= 1.00D+00 4.01D-01.
     30 vectors produced by pass  1 Test12= 1.05D-14 2.78D-09 XBig12= 3.52D-02 4.68D-02.
     30 vectors produced by pass  2 Test12= 1.05D-14 2.78D-09 XBig12= 3.88D-04 2.79D-03.
     30 vectors produced by pass  3 Test12= 1.05D-14 2.78D-09 XBig12= 2.26D-06 2.11D-04.
     30 vectors produced by pass  4 Test12= 1.05D-14 2.78D-09 XBig12= 8.04D-09 9.88D-06.
     30 vectors produced by pass  5 Test12= 1.05D-14 2.78D-09 XBig12= 1.04D-11 4.45D-07.
     15 vectors produced by pass  6 Test12= 1.05D-14 2.78D-09 XBig12= 8.72D-15 1.17D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.00D-15
 Solved reduced A of dimension   195 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   16653 ScalPx= 1.51D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   16653 ScalPx= 1.51D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   16653 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 7.73D+02
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.607051D+02  0.216635D+01 -0.236037D+00
      2   0.216635D+01  0.585095D+02 -0.238350D+01
      3  -0.236037D+00 -0.238350D+01  0.478007D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1   0.299572D+01 -0.198688D+01 -0.704300D+01
      2   0.173168D+00 -0.634118D+01 -0.166034D+02
      3  -0.110698D+01  0.110819D+02  0.312222D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.376069D+02  0.289985D+01 -0.303679D+01
      2   0.187846D+02  0.848173D+01  0.330428D+01
      3   0.188223D+02 -0.113816D+02 -0.267482D+00
      4   0.209152D+02 -0.252870D+02 -0.186978D+02
      5  -0.130568D+01 -0.185600D+02 -0.319139D+02
      6  -0.115304D+02  0.354849D+01  0.761644D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    39 ND12= 1 LenFil=    1407:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.667318D+01 -0.240253D+01  0.144783D+01 -0.804042D+00 -0.327342D+01
      2  -0.240253D+01 -0.344876D+01 -0.943774D+00 -0.327342D+01 -0.282947D+01
      3   0.144783D+01 -0.943774D+00 -0.433143D+00 -0.112113D+01  0.928243D+00
                 6             7             8             9            10 
      1  -0.112113D+01  0.350102D+01 -0.141973D+01 -0.335297D+00 -0.369907D+01
      2   0.928243D+00 -0.141973D+01  0.163503D+01  0.213934D+01  0.561294D+00
      3   0.261654D+01 -0.335297D+00  0.213934D+01 -0.554139D+01 -0.877795D+00
                11            12            13            14            15 
      1   0.561294D+00 -0.877795D+00 -0.446503D+00  0.263529D+01  0.143461D+01
      2   0.243440D+01  0.782398D+00  0.263529D+01  0.809945D+00  0.193491D+00
      3   0.782398D+00  0.426579D+00  0.143461D+01  0.193491D+00 -0.293109D+01
                16            17            18            19            20 
      1  -0.255546D+01  0.821296D+00  0.449033D+00  0.383822D+00 -0.194881D+01
      2   0.821296D+00 -0.467503D+00 -0.354035D+01 -0.194881D+01 -0.290504D+01
      3   0.449033D+00 -0.354035D+01  0.569130D+01  0.177735D+01  0.116581D+01
                21            22            23            24            25 
      1   0.177735D+01 -0.463619D+01 -0.334376D+01  0.103412D+01  0.284232D+01
      2   0.116581D+01 -0.334376D+01 -0.154433D+01 -0.211270D+00  0.144523D+01
      3  -0.517898D+00  0.103412D+01 -0.211270D+00 -0.104170D+00 -0.285002D+00
                26            27            28            29            30 
      1   0.144523D+01 -0.285002D+00  0.895922D+01  0.396364D+01 -0.209253D+01
      2  -0.457278D+00  0.676482D+00  0.396364D+01  0.386875D+01 -0.978923D+00
      3   0.676482D+00 -0.742676D+00 -0.209253D+01 -0.978923D+00  0.204696D+01
                31            32            33            34            35 
      1   0.509724D+01  0.368641D+01 -0.662826D+00 -0.206434D+01 -0.549269D+00
      2   0.368641D+01  0.706468D+01 -0.112323D+01 -0.549269D+00 -0.794745D+00
      3  -0.662826D+00 -0.112323D+01  0.196146D+01  0.280939D+01  0.207726D+01
                36            37            38            39            40 
      1   0.280939D+01  0.597978D+01 -0.734874D-01 -0.683282D+00 -0.731616D+00
      2   0.207726D+01 -0.734874D-01 -0.538494D+00  0.381680D+00 -0.103488D+01
      3  -0.231084D+01 -0.683282D+00  0.381680D+00  0.489514D-02  0.187558D+00
                41            42            43            44            45 
      1  -0.103488D+01  0.187558D+00 -0.800077D+00  0.903771D+00  0.526329D-01
      2  -0.239376D+01  0.126999D+01  0.903771D+00  0.345592D+01  0.249137D+01
      3   0.126999D+01  0.219515D+01  0.526329D-01  0.249137D+01  0.244483D+01
                46            47            48            49            50 
      1   0.659268D+01 -0.776847D+00  0.187301D+01  0.246851D+01  0.298661D+01
      2  -0.776847D+00  0.346773D+01 -0.116466D+01  0.298661D+01 -0.358178D+01
      3   0.187301D+01 -0.116466D+01  0.130823D+01 -0.112226D+00  0.810098D+00
                51            52            53            54            55 
      1  -0.112226D+00  0.213770D+00 -0.111911D+01  0.991061D+00  0.326216D-01
      2   0.810098D+00 -0.111911D+01  0.100481D+01 -0.186388D+01  0.377528D+00
      3  -0.611959D+00  0.991061D+00 -0.186388D+01  0.266594D+01 -0.102414D+01
                56            57            58            59            60 
      1   0.377528D+00 -0.102414D+01  0.691610D+00 -0.495828D+00 -0.100103D+00
      2  -0.498576D+00 -0.153091D+00 -0.495828D+00  0.195280D+01 -0.166680D+01
      3  -0.153091D+00 -0.388599D+00 -0.100103D+00 -0.166680D+01  0.231458D+01
                61            62            63            64            65 
      1  -0.125869D+01 -0.186416D+00 -0.344578D+00 -0.952467D+01  0.269317D+01
      2  -0.186416D+00 -0.224123D+01  0.223129D+01  0.269317D+01 -0.196390D+01
      3  -0.344578D+00  0.223129D+01 -0.826705D+01 -0.630127D+00  0.267509D-01
                66            67            68            69            70 
      1  -0.630127D+00  0.123140D+01 -0.129697D+01  0.274845D+00 -0.216797D+01
      2   0.267509D-01 -0.129697D+01  0.154063D+01 -0.305642D+00  0.610249D+00
      3  -0.132874D+01  0.274845D+00 -0.305642D+00  0.296051D-02 -0.114768D+01
                71            72            73            74            75 
      1   0.610249D+00 -0.114768D+01 -0.714041D+00  0.115090D+00  0.840850D+00
      2  -0.969526D+00  0.892529D-01  0.115090D+00  0.454786D+00  0.188336D+00
      3   0.892529D-01 -0.176972D+00  0.840850D+00  0.188336D+00  0.121749D+00
                76            77            78            79            80 
      1  -0.440778D+00  0.328803D+00  0.386815D+00  0.115311D+01 -0.813068D-01
      2   0.328803D+00 -0.516284D+00  0.790430D+00 -0.813068D-01  0.152654D+01
      3   0.386815D+00  0.790430D+00 -0.196825D+01 -0.779433D+00 -0.181034D+00
                81            82            83            84            85 
      1  -0.779433D+00  0.979636D+00  0.139337D+01 -0.124884D+00  0.175892D+01
      2  -0.181034D+00  0.139337D+01  0.303485D+01  0.476449D+00  0.165141D+01
      3   0.820327D+01 -0.124884D+00  0.476449D+00  0.791104D+00  0.837826D-01
                86            87            88            89            90 
      1   0.165141D+01  0.837826D-01 -0.393852D+00  0.285934D+00  0.326679D+00
      2   0.742565D+01  0.373470D+00  0.285934D+00 -0.379841D+00  0.770278D+00
      3   0.373470D+00  0.891769D+00  0.326679D+00  0.770278D+00  0.493843D+00
                91            92            93            94            95 
      1  -0.971443D+01 -0.181400D+01  0.110824D+01 -0.203956D+00 -0.695017D+00
      2  -0.181400D+01 -0.183360D+01 -0.202873D+00 -0.695017D+00 -0.266875D+00
      3   0.110824D+01 -0.202873D+00 -0.127520D+01 -0.310582D+00  0.179716D+00
                96            97            98            99           100 
      1  -0.310582D+00  0.273377D+01  0.645190D-01 -0.977507D+00 -0.600779D+00
      2   0.179716D+00  0.645190D-01  0.612768D+00 -0.377422D+00 -0.848548D+00
      3  -0.878651D-01 -0.977507D+00 -0.377422D+00  0.606665D+00 -0.620523D+00
               101           102           103           104           105 
      1  -0.848548D+00 -0.620523D+00 -0.105975D+01 -0.896763D+00 -0.749455D+00
      2  -0.194004D+00 -0.365749D+00 -0.896763D+00 -0.395293D+01 -0.232984D+01
      3  -0.365749D+00  0.110742D+00 -0.749455D+00 -0.232984D+01 -0.297849D+01
               106           107           108           109           110 
      1  -0.127272D+01 -0.935103D+00 -0.804838D+00 -0.534796D+01 -0.123988D+01
      2  -0.935103D+00 -0.385147D+01 -0.359844D+01 -0.123988D+01 -0.187816D+01
      3  -0.804838D+00 -0.359844D+01 -0.447184D+01 -0.994016D+00  0.787650D+00
               111           112           113           114           115 
      1  -0.994016D+00 -0.292485D+01 -0.251883D+00 -0.345408D+00  0.691113D-01
      2   0.787650D+00 -0.251883D+00 -0.370828D+01  0.109134D+01  0.159933D+00
      3  -0.866687D+00 -0.345408D+00  0.109134D+01 -0.130063D+01  0.455399D-01
               116           117 
      1   0.159933D+00  0.455399D-01
      2   0.926532D+00 -0.914159D+00
      3  -0.914159D+00  0.140491D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.385237D+01 -0.109270D+01  0.705698D-01  0.576368D+00 -0.491190D+01
      2  -0.529684D+01  0.354778D+01  0.220258D+01  0.355151D+01  0.490108D+00
      3   0.419892D+01 -0.102246D+02  0.986590D+00 -0.431113D+01 -0.111107D+02
                 6             7             8             9            10 
      1  -0.659808D+01 -0.230512D+00 -0.313948D+00  0.915025D+01  0.379740D+00
      2  -0.309187D+01 -0.235391D+01 -0.242304D+01  0.745808D+01 -0.391526D+01
      3  -0.834454D+00  0.157446D+01 -0.107596D-02  0.333956D+01 -0.226267D+01
                11            12            13            14            15 
      1  -0.687078D+00  0.160683D+01  0.917820D+00 -0.232941D+01  0.220272D+01
      2   0.189892D+01  0.283005D+01 -0.133329D+01  0.137784D+01  0.971677D+00
      3  -0.239442D+01 -0.233450D+01  0.272097D+01  0.473404D+01 -0.194918D+01
                16            17            18            19            20 
      1  -0.332262D+00  0.517781D+01 -0.122187D+01  0.222767D+01  0.335519D+00
      2  -0.553513D+01  0.226793D+01 -0.175530D+01  0.391138D+01 -0.303564D+01
      3  -0.926539D+00 -0.384483D+00 -0.159923D+01 -0.292469D+01  0.593302D+01
                21            22            23            24            25 
      1   0.272472D+01 -0.255185D+01  0.815044D+01  0.360372D+01 -0.310195D+01
      2  -0.662727D+01 -0.661462D+01  0.801176D+00 -0.281100D+01 -0.134991D+02
      3   0.111127D+01  0.796509D+01  0.514385D+01  0.157100D+01  0.487026D+01
                26            27            28            29            30 
      1   0.738171D+01 -0.790504D+01 -0.771182D+00 -0.229177D+01 -0.497100D+01
      2   0.158417D+01 -0.143969D+01  0.137154D+01 -0.607343D-01  0.935562D+01
      3   0.143619D+00  0.113522D+01  0.222396D+01 -0.115415D+02  0.109864D+01
                31            32            33            34            35 
      1   0.615679D+00 -0.333279D+01 -0.646115D+01  0.149451D+01  0.264836D+01
      2   0.409667D+01 -0.158538D+01  0.455357D+01  0.174905D+01  0.154260D+01
      3   0.221429D+01 -0.110159D+02  0.640409D+00 -0.165885D+01  0.965125D+00
                36            37            38            39            40 
      1   0.214953D+01 -0.232626D+01  0.187375D+01 -0.471011D+00  0.164302D+01
      2  -0.211158D+01  0.136608D+01 -0.113994D+01  0.295521D+01 -0.835097D+00
      3  -0.341499D+01 -0.119782D+02 -0.662732D+01  0.220856D+01  0.502583D+01
                41            42            43            44            45 
      1   0.530955D+01 -0.198677D+01  0.163893D+01  0.857922D+01  0.572613D+01
      2  -0.290991D+01 -0.261368D+01 -0.404879D+01 -0.394096D+01 -0.281888D+01
      3  -0.141790D+01  0.149028D+01  0.360682D+01  0.176033D+01  0.316162D+01
                46            47            48            49            50 
      1   0.310643D+01  0.272696D+01  0.338309D+01  0.341755D+01 -0.993057D+00
      2  -0.692513D+01 -0.271593D+01  0.505308D+01 -0.109511D+01 -0.178473D+00
      3  -0.144289D+02 -0.108757D+02 -0.929466D+00 -0.563649D+01  0.293192D-03
                51            52            53            54            55 
      1  -0.396153D+01  0.245672D+01  0.131258D+01  0.356456D+01  0.203532D+00
      2  -0.816682D+00  0.138590D+01 -0.263630D+01  0.374975D+01  0.535065D+00
      3  -0.212147D+01 -0.211119D+01  0.108713D+00  0.137513D+01  0.132476D+01
                56            57            58            59            60 
      1   0.154483D+00  0.243473D+00 -0.290168D+00 -0.739766D+00 -0.140457D+01
      2  -0.141400D+00  0.497963D+00  0.968210D+00  0.562292D+00 -0.131233D+01
      3  -0.112513D+01  0.128854D+00  0.145984D+01  0.367977D+00 -0.668657D+00
                61            62            63            64            65 
      1   0.775069D+00  0.230665D+01  0.361987D+01  0.126643D+01 -0.454817D+00
      2  -0.274913D+01 -0.158205D+01  0.402092D+01  0.465394D+01 -0.922320D+00
      3  -0.149412D+01 -0.136777D+01  0.396661D+00 -0.877830D+01 -0.276676D+01
                66            67            68            69            70 
      1   0.257774D+01 -0.792864D+00  0.860292D+00 -0.832003D+00  0.149822D+01
      2   0.512718D+01 -0.126444D+01  0.562865D+00 -0.432405D+00  0.115040D+01
      3  -0.133976D+01  0.160422D+01  0.865014D+00 -0.162845D+00 -0.124700D+01
                71            72            73            74            75 
      1   0.518403D+00  0.331289D+00 -0.113702D+01  0.366676D+00  0.157546D+00
      2   0.703528D-02  0.113486D+01 -0.740470D+00 -0.160032D+00  0.122438D+00
      3  -0.134182D+01 -0.157463D+01 -0.844254D+00  0.111154D+00  0.108083D+01
                76            77            78            79            80 
      1   0.110669D+00 -0.231389D+01  0.206361D+01  0.621769D+00  0.430971D+01
      2   0.238200D+00 -0.119262D+01  0.250142D+01 -0.241052D+01  0.813742D+00
      3   0.617791D+00 -0.104794D+00  0.148506D+01  0.137900D+01  0.205313D+01
                81            82            83            84            85 
      1  -0.113381D+02  0.156749D+01  0.946108D+00 -0.194445D+01  0.912013D+00
      2  -0.106398D+02 -0.647997D+00 -0.110463D+01 -0.111972D-01 -0.111960D+01
      3  -0.154693D+01  0.544380D+01  0.500146D+01 -0.275598D+00  0.740709D+01
                86            87            88            89            90 
      1   0.343022D+01 -0.314911D+01 -0.721776D+00  0.873221D-01 -0.254875D+00
      2  -0.187203D+01 -0.615911D+00 -0.110412D+01 -0.674084D+00 -0.779840D+00
      3   0.120727D+02  0.559610D+00 -0.908398D+00  0.274114D+00  0.164426D+01
                91            92            93            94            95 
      1   0.346406D+01  0.324366D+00 -0.188902D+01 -0.294909D+00  0.736042D+00
      2  -0.221972D+01 -0.408524D+00  0.418984D+01  0.222671D+00 -0.688579D+00
      3   0.116235D+02 -0.284732D+01 -0.183934D+01 -0.430900D+00  0.118252D+01
                96            97            98            99           100 
      1  -0.200920D+00 -0.129233D+01 -0.188005D+00  0.794086D+00 -0.218924D+00
      2  -0.207760D+00  0.774778D+00  0.486792D+00 -0.152751D+01  0.386567D+00
      3   0.112796D+01 -0.465473D+01  0.177271D+01  0.478080D+00  0.187959D+00
               101           102           103           104           105 
      1  -0.992948D-01  0.171219D+00 -0.140943D+01 -0.241345D+01 -0.508214D+01
      2   0.333162D+00 -0.301370D-01  0.500370D+00  0.295624D+01  0.424055D+01
      3   0.141001D+00 -0.145916D+00  0.167517D+01 -0.387527D+01 -0.167902D+01
               106           107           108           109           110 
      1  -0.143850D+01 -0.307184D+01 -0.687835D+01 -0.390958D+01 -0.210220D+01
      2  -0.853419D+00  0.457132D+01  0.570380D+01  0.740271D+01  0.271771D+01
      3   0.127534D+01 -0.393212D+01 -0.368258D+01  0.151312D+02  0.796108D+01
               111           112           113           114           115 
      1  -0.165972D+01 -0.273576D+01 -0.260715D+00 -0.209438D+01 -0.284888D+00
      2  -0.176474D+01  0.268453D+01  0.167646D+01 -0.365581D+00 -0.285842D+01
      3   0.144159D+01  0.100407D+02  0.424189D+01  0.423789D+00  0.294953D+00
               116           117 
      1   0.506997D+00  0.107078D+01
      2  -0.110082D+01 -0.877309D+00
      3  -0.504710D-01  0.287838D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.269815D+02  0.167607D+02 -0.360718D+01  0.153197D+02  0.110516D+02
      2   0.556243D+01 -0.156964D+02  0.594775D+00 -0.138680D+02 -0.159453D+02
      3   0.214191D+02 -0.106429D+01  0.301241D+01 -0.145168D+01  0.489369D+01
      4   0.215389D+02 -0.162026D+01  0.608253D+01  0.368824D+01 -0.425571D+01
      5  -0.294857D+01  0.135836D+01  0.196384D+01  0.215748D+01 -0.512478D+01
      6   0.408484D+01 -0.377097D+01 -0.967352D+00 -0.467930D+01  0.289840D+01
                 6             7             8             9            10 
      1  -0.219276D+01 -0.677264D+01 -0.105331D+01  0.329538D+01  0.922438D+01
      2  -0.189473D+01 -0.973857D-02  0.680490D+00  0.137372D+02 -0.429284D+01
      3   0.408750D+01  0.678238D+01  0.372818D+00 -0.170326D+02 -0.493154D+01
      4  -0.427842D+01  0.102636D+02 -0.678126D+01 -0.798452D+01 -0.660506D+00
      5  -0.623401D+01  0.260305D+01 -0.638353D+01  0.127038D+02 -0.679329D+00
      6   0.753541D+01 -0.289840D+01  0.584479D+01 -0.555494D+01 -0.818986D+00
                11            12            13            14            15 
      1   0.256361D+01 -0.357346D+01 -0.632746D+01  0.348947D+01 -0.561463D+01
      2  -0.373562D+01  0.217584D+01  0.355093D+01 -0.257895D+01 -0.148505D+01
      3   0.117201D+01  0.139763D+01  0.277653D+01 -0.910525D+00  0.709968D+01
      4  -0.175648D+01 -0.317287D+01 -0.119784D+02 -0.109084D+01  0.406737D+00
      5  -0.165163D+01  0.874687D-01 -0.504273D+01  0.226925D+00  0.181299D+01
      6   0.317704D+01 -0.276639D+01 -0.145222D+00  0.181590D+00 -0.116154D+02
                16            17            18            19            20 
      1   0.333289D+01 -0.304429D+01  0.838793D+01 -0.172284D+02 -0.318280D+01
      2   0.141013D+01 -0.606425D+01  0.562442D+01  0.828653D+01 -0.102327D+01
      3  -0.474301D+01  0.910854D+01 -0.140123D+02  0.894188D+01  0.420608D+01
      4  -0.410065D+01  0.586263D+01  0.825484D+01 -0.167442D+02 -0.183811D+02
      5  -0.784667D+00  0.583996D+01 -0.813886D+01  0.673438D+01  0.487745D+01
      6   0.347860D+01 -0.322680D+01  0.885730D+01 -0.687728D+00 -0.827132D-01
                21            22            23            24            25 
      1   0.332721D+01 -0.163883D+02 -0.195431D+01 -0.117878D+01  0.475631D+01
      2  -0.234397D+01  0.110200D+02 -0.700001D+01 -0.632659D+01 -0.272479D+01
      3  -0.983247D+00  0.536829D+01  0.895432D+01  0.750537D+01 -0.203153D+01
      4   0.466508D+01 -0.167827D+02 -0.591985D+01 -0.157432D+01  0.863309D+01
      5  -0.119111D+02  0.941757D+01 -0.606721D+00 -0.531782D+01 -0.213894D+01
      6  -0.271533D+01 -0.611449D+00  0.505943D+01 -0.629213D+01  0.110803D+01
                26            27            28            29            30 
      1  -0.161402D+01 -0.544824D+01  0.401479D+02  0.969087D+01 -0.417461D+01
      2   0.662588D+01 -0.595365D+00 -0.207241D+02  0.264919D+00  0.550676D+01
      3  -0.501186D+01  0.604360D+01 -0.194238D+02 -0.995579D+01 -0.133216D+01
      4  -0.457753D+01 -0.184869D+01  0.266122D+02  0.249570D+02 -0.436414D+01
      5   0.158437D+00 -0.653451D+00 -0.117559D+02 -0.466932D+01  0.176264D+02
      6   0.429099D+01  0.610997D+01 -0.948523D+00 -0.120587D+01  0.572367D+01
                31            32            33            34            35 
      1   0.148688D+02  0.222987D+01  0.470436D+00 -0.499576D+01  0.850249D+00
      2  -0.419013D+01  0.111618D+02  0.181086D+01  0.422642D+01 -0.351677D+00
      3  -0.106787D+02 -0.133917D+02 -0.228130D+01  0.769341D+00 -0.498572D+00
      4   0.278732D+02  0.272690D+02 -0.423539D+01 -0.432423D+01 -0.297171D+01
      5  -0.498694D+01 -0.485363D+01  0.963377D+01  0.165450D+02  0.791139D+01
      6  -0.261640D+01 -0.231767D+01  0.915882D+01  0.440380D+01  0.707968D+01
                36            37            38            39            40 
      1   0.304230D+01 -0.193782D+02 -0.521848D+01  0.762353D+01  0.997899D+00
      2  -0.697675D+01  0.112352D+02  0.549520D+01 -0.605310D+01  0.195052D+01
      3   0.393445D+01  0.814293D+01 -0.276723D+00 -0.157043D+01 -0.294842D+01
      4   0.860898D+01 -0.103219D+02  0.529504D+01 -0.371185D+00  0.109043D+02
      5  -0.940892D+01  0.466941D+01 -0.224834D+01  0.476719D+01 -0.177490D+01
      6  -0.376998D+01  0.215595D+01 -0.278850D+01  0.127686D+01 -0.117500D+01
                41            42            43            44            45 
      1  -0.373630D+01  0.380374D+01  0.779842D+01  0.308873D+01  0.327659D+01
      2   0.128868D+02 -0.260414D+01 -0.755161D+01 -0.236369D+01 -0.603370D+01
      3  -0.915052D+01 -0.119960D+01 -0.246815D+00 -0.725039D+00  0.275711D+01
      4   0.822767D+01 -0.365635D+01 -0.155307D+01 -0.977881D+01 -0.609706D+01
      5  -0.420235D+01 -0.488286D+01  0.292107D+01 -0.739208D+01 -0.571118D+01
      6  -0.946327D+01 -0.978192D-02 -0.206004D+01 -0.662285D+01 -0.120213D+02
                46            47            48            49            50 
      1   0.137185D+02  0.860616D+00 -0.790841D+00  0.378207D+01 -0.609907D+01
      2  -0.755390D+01 -0.543753D+01 -0.208944D+01 -0.680275D+01  0.144306D+02
      3  -0.616456D+01  0.457691D+01  0.288028D+01  0.302067D+01 -0.833150D+01
      4  -0.179066D+02  0.161488D+02 -0.597300D+01  0.104437D+02 -0.154769D+02
      5   0.489587D+01 -0.426952D+01  0.109605D+02 -0.271561D+01  0.434984D+01
      6  -0.347848D+01  0.329649D+01 -0.541699D+01  0.123671D+01 -0.495556D+01
                51            52            53            54            55 
      1   0.294794D+01 -0.180488D+01  0.396306D+01 -0.464747D+01 -0.106261D+00
      2   0.378507D+00  0.372290D-01 -0.279491D+01 -0.463366D+01 -0.253932D+01
      3  -0.332645D+01  0.176765D+01 -0.116815D+01  0.928113D+01  0.264558D+01
      4   0.305637D+01 -0.309868D+01  0.448477D+01 -0.693907D+01 -0.966089D+00
      5  -0.272681D+01  0.968995D+01 -0.594022D+01  0.952700D+01  0.167449D+01
      6   0.103484D+02 -0.340822D+01  0.895570D+01 -0.758701D+01 -0.214120D+01
                56            57            58            59            60 
      1  -0.731836D+00  0.213843D+01  0.117627D+01 -0.592857D+01  0.525976D+01
      2   0.526057D+00 -0.104333D+01 -0.441020D+00  0.108252D+01  0.453506D+00
      3   0.205779D+00 -0.109510D+01 -0.735250D+00  0.484606D+01 -0.571327D+01
      4   0.296468D+01 -0.121825D+01  0.342182D+01 -0.387944D+01  0.252212D+01
      5  -0.147845D+01  0.652346D+01 -0.857221D+00  0.230201D+01 -0.344037D+01
      6  -0.518739D+00  0.195152D+00  0.536059D+00 -0.638272D+01  0.102539D+02
                61            62            63            64            65 
      1  -0.139849D+00  0.552629D+01 -0.176658D+02  0.442504D+02 -0.873125D+01
      2  -0.919370D+00  0.246039D+01 -0.139621D+02 -0.165562D+02 -0.575588D+00
      3   0.105922D+01 -0.798668D+01  0.316279D+02 -0.276942D+02  0.930684D+01
      4  -0.863303D+00  0.354704D+01 -0.388079D+01 -0.314921D+02  0.165047D+02
      5   0.510851D+01 -0.287624D+01  0.113804D+02 -0.945658D+00  0.767069D+00
      6  -0.138488D+01  0.825150D+01 -0.137498D+02 -0.171039D+01 -0.360450D+00
                66            67            68            69            70 
      1   0.431406D+01 -0.378105D+01  0.288817D+01 -0.277006D+00  0.795838D+01
      2  -0.977539D+00 -0.188669D+01  0.371006D+01 -0.173432D+00 -0.254226D+01
      3  -0.333653D+01  0.566774D+01 -0.659823D+01  0.450438D+00 -0.541612D+01
      4  -0.214973D+01  0.122374D+02 -0.828797D+01  0.171130D+01 -0.615101D+01
      5   0.733111D+01 -0.570040D-01  0.858566D+00 -0.484119D+00  0.719989D+01
      6  -0.433669D+01  0.592913D+00 -0.184715D+00  0.135351D+01 -0.376397D+01
                71            72            73            74            75 
      1  -0.291830D+00  0.406923D+01  0.292705D+01 -0.180998D+01 -0.271956D+01
      2  -0.152025D+01 -0.385408D+01 -0.330561D+01  0.159601D+01  0.180406D+01
      3   0.181208D+01 -0.215151D+00  0.378563D+00  0.213972D+00  0.915501D+00
      4   0.467085D+01 -0.323280D+01 -0.235376D+01  0.807211D+00  0.734393D+00
      5  -0.132772D+01  0.211976D+01 -0.217529D+01 -0.578149D+00  0.513837D+01
      6   0.165760D+01 -0.125344D+01  0.645726D+00  0.844005D+00  0.134460D+00
                76            77            78            79            80 
      1  -0.189718D+00 -0.251134D+01  0.643920D+00 -0.255048D+01 -0.127689D+01
      2   0.212458D+00 -0.845803D-01  0.512405D+01  0.307563D+01  0.446029D+01
      3  -0.227404D-01  0.259592D+01 -0.576797D+01 -0.525144D+00 -0.318340D+01
      4   0.105398D+00  0.237781D+01 -0.203678D+01  0.206000D+01 -0.396275D+01
      5  -0.231275D+01 -0.169109D+01  0.469177D+01  0.683979D+01  0.722099D+00
      6   0.222306D+00 -0.941410D+00  0.214262D+01 -0.115772D+01  0.430062D+01
                81            82            83            84            85 
      1  -0.124951D+02 -0.232616D+01 -0.102175D+02 -0.718448D+00 -0.862556D+01
      2  -0.180221D+02  0.605401D+01  0.144942D+02  0.203963D+00  0.992580D+01
      3   0.305171D+02 -0.372785D+01 -0.427669D+01  0.514484D+00 -0.130024D+01
      4   0.135695D+01  0.237433D+01  0.249926D+01 -0.871907D+00  0.493936D+01
      5  -0.201416D+02  0.176679D+01  0.105447D+01 -0.383605D+00  0.177452D+01
      6   0.129904D+02  0.293020D+00  0.265118D+01  0.317956D+01  0.159457D+01
                86            87            88            89            90 
      1  -0.238699D+02 -0.152379D+01  0.444244D+00  0.127889D-01 -0.405158D+01
      2   0.389448D+02  0.833935D+00 -0.517646D-01 -0.129851D+01  0.247052D+01
      3  -0.150749D+02  0.689858D+00 -0.392480D+00  0.128572D+01  0.158106D+01
      4  -0.604505D+01 -0.482866D-01 -0.160241D+01  0.104809D+01  0.648826D+00
      5   0.188121D+01 -0.112386D+01  0.762012D+00 -0.246203D+00 -0.107552D+01
      6   0.554683D+01  0.586258D+01  0.215734D+01  0.607321D+01  0.673541D+00
                91            92            93            94            95 
      1   0.416454D+02  0.476971D+01 -0.626168D+01 -0.104208D+01  0.204648D+01
      2  -0.210209D+02 -0.437060D+00  0.305539D+01  0.188395D+01  0.459749D-02
      3  -0.206244D+02 -0.433265D+01  0.320629D+01 -0.841867D+00 -0.205107D+01
      4   0.194961D+02  0.946550D+01 -0.158493D+01  0.556459D+01  0.147207D+01
      5  -0.283354D+01  0.577273D+00  0.593420D+01  0.150844D+01 -0.734884D+00
      6  -0.225820D+01  0.906259D+00  0.300877D+01  0.496527D+00 -0.182095D+00
                96            97            98            99           100 
      1   0.134271D+01 -0.997616D+01 -0.943547D-01  0.382399D+01  0.169279D+01
      2  -0.970837D+00  0.637018D+01 -0.451902D+00 -0.290045D+01 -0.792071D+00
      3  -0.371871D+00  0.360598D+01  0.546257D+00 -0.923536D+00 -0.900717D+00
      4  -0.398709D+00 -0.456321D+01 -0.111896D+01  0.195695D+01  0.382634D+01
      5  -0.760121D-01  0.595696D+01  0.137465D+01 -0.243289D+01  0.257065D+01
      6   0.139934D+01  0.162552D+01  0.212493D+01 -0.125193D+01  0.258588D+01
               101           102           103           104           105 
      1   0.195636D+01  0.183845D+01  0.161673D+01 -0.753912D+01 -0.507589D+01
      2  -0.644125D+00 -0.423197D+00 -0.200299D+00  0.923815D+01  0.456740D+01
      3  -0.131223D+01 -0.141525D+01 -0.141643D+01 -0.169902D+01  0.508493D+00
      4   0.463319D+01  0.340498D+01  0.583259D+01  0.106370D+02  0.701689D+01
      5   0.306371D+01  0.337772D+01  0.343110D+01  0.755696D+01  0.890928D+01
      6   0.756392D+00  0.381486D+00  0.388038D+01  0.133092D+02  0.134107D+02
               106           107           108           109           110 
      1   0.187081D+01 -0.727424D+01 -0.984722D+01 -0.664569D+01 -0.382156D+01
      2  -0.923290D+00  0.421362D+01  0.178402D+01  0.517676D+01  0.372900D+01
      3  -0.947521D+00  0.306062D+01  0.806319D+01  0.146893D+01  0.925655D-01
      4   0.510025D+01  0.104320D+02  0.902130D+01  0.876369D+01 -0.300804D+01
      5   0.534485D+01  0.106226D+02  0.128948D+02 -0.120934D+01  0.813592D+00
      6   0.366386D+01  0.158102D+02  0.179730D+02  0.227810D+01 -0.290412D+01
               111           112           113           114           115 
      1   0.228938D+01 -0.285155D+01 -0.907332D+01  0.298335D+01  0.236080D+00
      2  -0.252870D+00  0.173368D+01  0.121621D+02 -0.289149D+01 -0.239408D+00
      3  -0.203651D+01  0.111787D+01 -0.308881D+01 -0.918681D-01  0.332833D-02
      4   0.243552D+01  0.445557D+01 -0.286146D+01  0.127880D+01  0.199617D+00
      5  -0.361481D+01 -0.541961D+00  0.379488D-01 -0.761948D+00  0.657575D+00
      6   0.230280D+01  0.431872D+00 -0.495148D+01  0.425281D+01  0.402430D+00
               116           117 
      1   0.279681D+01 -0.360719D+01
      2  -0.200648D+01  0.149485D+01
      3  -0.790334D+00  0.211233D+01
      4  -0.854402D+00  0.135066D+00
      5  -0.296740D+00 -0.129946D+01
      6   0.396993D+01 -0.379930D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 17:29:38 2021, MaxMem=  6442450944 cpu:            1219.4 elap:             153.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.18125 -19.12618 -14.35783 -10.31563 -10.25001
 Alpha  occ. eigenvalues --  -10.20501  -1.09446  -1.01321  -0.91982  -0.76756
 Alpha  occ. eigenvalues --   -0.66422  -0.60280  -0.53707  -0.53229  -0.50249
 Alpha  occ. eigenvalues --   -0.45927  -0.44342  -0.42165  -0.40656  -0.38962
 Alpha  occ. eigenvalues --   -0.37329  -0.32302  -0.31034  -0.27113
 Alpha virt. eigenvalues --   -0.00654  -0.00215   0.03396   0.04283   0.04666
 Alpha virt. eigenvalues --    0.07620   0.08333   0.09413   0.09989   0.10617
 Alpha virt. eigenvalues --    0.12407   0.13562   0.13937   0.14560   0.15646
 Alpha virt. eigenvalues --    0.16350   0.17917   0.18265   0.19619   0.20418
 Alpha virt. eigenvalues --    0.22019   0.23660   0.24011   0.24698   0.26451
 Alpha virt. eigenvalues --    0.28146   0.29388   0.29939   0.31354   0.31449
 Alpha virt. eigenvalues --    0.31721   0.33369   0.33630   0.34622   0.35063
 Alpha virt. eigenvalues --    0.35414   0.36643   0.37524   0.38339   0.38917
 Alpha virt. eigenvalues --    0.41022   0.41555   0.43125   0.44525   0.46053
 Alpha virt. eigenvalues --    0.46397   0.46710   0.46872   0.48496   0.48997
 Alpha virt. eigenvalues --    0.49344   0.50343   0.50684   0.52171   0.53243
 Alpha virt. eigenvalues --    0.53766   0.55946   0.56689   0.57790   0.58285
 Alpha virt. eigenvalues --    0.60301   0.61348   0.63330   0.63776   0.64331
 Alpha virt. eigenvalues --    0.68484   0.69373   0.69829   0.72786   0.75165
 Alpha virt. eigenvalues --    0.75572   0.76335   0.77857   0.79724   0.81750
 Alpha virt. eigenvalues --    0.84389   0.88288   0.89669   0.91883   0.97186
 Alpha virt. eigenvalues --    0.97766   0.98794   1.00380   1.01208   1.03522
 Alpha virt. eigenvalues --    1.05700   1.07272   1.12186   1.15959   1.16943
 Alpha virt. eigenvalues --    1.19134   1.21589   1.23993   1.30128   1.32102
 Alpha virt. eigenvalues --    1.36400   1.43843   1.47410   1.50752   1.52709
 Alpha virt. eigenvalues --    1.57425   1.61381   1.62502   1.63164   1.66360
 Alpha virt. eigenvalues --    1.67015   1.71552   1.73150   1.76335   1.77443
 Alpha virt. eigenvalues --    1.81340   1.84796   1.88355   1.89707   1.90851
 Alpha virt. eigenvalues --    1.93202   1.95198   1.98599   1.99545   2.00862
 Alpha virt. eigenvalues --    2.05628   2.06315   2.09723   2.12639   2.13314
 Alpha virt. eigenvalues --    2.17732   2.21158   2.22215   2.28840   2.30129
 Alpha virt. eigenvalues --    2.32191   2.35787   2.37265   2.44337   2.47773
 Alpha virt. eigenvalues --    2.52682   2.58056   2.62452   2.65011   2.81220
 Alpha virt. eigenvalues --    2.84547   2.87222   2.87666   2.94593   2.96452
 Alpha virt. eigenvalues --    2.99282   3.02719   3.07104   3.12506   3.13687
 Alpha virt. eigenvalues --    3.16591   3.26672   3.35928   3.45243   3.54644
 Alpha virt. eigenvalues --    3.60525   3.82438   3.94615
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    3.968193   0.454529   0.009677  -0.003324  -0.001945  -0.007632
     2  C    0.454529   5.434351  -0.119079   0.034750  -0.121782  -0.050748
     3  C    0.009677  -0.119079   5.359700   0.156629  -0.030087   0.074101
     4  O   -0.003324   0.034750   0.156629   8.278868   0.003661   0.036203
     5  N   -0.001945  -0.121782  -0.030087   0.003661   7.185208  -0.004601
     6  O   -0.007632  -0.050748   0.074101   0.036203  -0.004601   8.070338
     7  H    0.014397   0.170568   0.038078  -0.013111  -0.085148  -0.007531
     8  H    0.314717   0.037185  -0.008245   0.006946   0.014834   0.003041
     9  H    0.247516   0.146545  -0.011388   0.000405  -0.044540   0.003601
    10  H    0.243644   0.047073  -0.023152   0.005964   0.020441   0.002394
    11  H   -0.047390   0.012028   0.005289  -0.000832   0.104999   0.004627
    12  H    0.011471   0.131380   0.017231  -0.001445   0.196706  -0.009619
    13  H   -0.002149  -0.055422   0.122801  -0.021187  -0.028791   0.219897
               7          8          9         10         11         12
     1  C    0.014397   0.314717   0.247516   0.243644  -0.047390   0.011471
     2  C    0.170568   0.037185   0.146545   0.047073   0.012028   0.131380
     3  C    0.038078  -0.008245  -0.011388  -0.023152   0.005289   0.017231
     4  O   -0.013111   0.006946   0.000405   0.005964  -0.000832  -0.001445
     5  N   -0.085148   0.014834  -0.044540   0.020441   0.104999   0.196706
     6  O   -0.007531   0.003041   0.003601   0.002394   0.004627  -0.009619
     7  H    1.135918  -0.051584   0.020163   0.015876   0.080963  -0.099235
     8  H   -0.051584   0.813082  -0.033757  -0.021676  -0.013892   0.008531
     9  H    0.020163  -0.033757   0.746745  -0.024825   0.007312   0.000133
    10  H    0.015876  -0.021676  -0.024825   0.811384   0.007322  -0.005389
    11  H    0.080963  -0.013892   0.007312   0.007322   0.907896  -0.181520
    12  H   -0.099235   0.008531   0.000133  -0.005389  -0.181520   0.924947
    13  H    0.023059  -0.001616   0.003096   0.001577   0.010958  -0.025291
              13
     1  C   -0.002149
     2  C   -0.055422
     3  C    0.122801
     4  O   -0.021187
     5  N   -0.028791
     6  O    0.219897
     7  H    0.023059
     8  H   -0.001616
     9  H    0.003096
    10  H    0.001577
    11  H    0.010958
    12  H   -0.025291
    13  H    0.494602
 Mulliken charges:
               1
     1  C    0.798295
     2  C   -0.121378
     3  C    0.408447
     4  O   -0.483528
     5  N   -0.208957
     6  O   -0.334071
     7  H   -0.242413
     8  H   -0.067564
     9  H   -0.061006
    10  H   -0.080632
    11  H    0.102240
    12  H    0.032101
    13  H    0.258467
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.589093
     2  C   -0.363791
     3  C    0.408447
     4  O   -0.483528
     5  N   -0.074616
     6  O   -0.075604
 Electronic spatial extent (au):  <R**2>=            571.8822
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -5.2616    Y=             -1.3321    Z=             -0.6100  Tot=              5.4618
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -40.7236   YY=            -36.6655   ZZ=            -35.4571
   XY=             -0.7022   XZ=              1.0344   YZ=              2.7323
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -3.1082   YY=              0.9499   ZZ=              2.1583
   XY=             -0.7022   XZ=              1.0344   YZ=              2.7323
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -18.7773  YYY=             -7.4651  ZZZ=             -2.2787  XYY=             -5.2146
  XXY=             -7.0162  XXZ=             -0.3273  XZZ=             -1.0527  YZZ=             -3.7818
  YYZ=             -1.3245  XYZ=              0.7903
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -378.6327 YYYY=           -241.3489 ZZZZ=            -91.1208 XXXY=              6.9268
 XXXZ=              2.5115 YYYX=              4.0429 YYYZ=              3.1333 ZZZX=              3.2107
 ZZZY=              1.1821 XXYY=           -109.7544 XXZZ=            -81.0809 YYZZ=            -53.9025
 XXYZ=              5.5650 YYXZ=              6.2633 ZZXY=              3.3890
 N-N= 2.508132569717D+02 E-N=-1.257258049000D+03  KE= 3.204123041657D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 17:29:40 2021, MaxMem=  6442450944 cpu:               4.0 elap:               2.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-2.04538836D+00-5.32798870D-01-2.41207447D-01
 Polarizability= 5.53894139D+01 2.07466857D+00 5.36253798D+01
                -3.70774911D-01-2.08194124D+00 4.34536877D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.1181    0.1180        1.0830    1.0832
 2     -0.1181   -0.1180        1.1916    1.1917       -1.0975   -1.0978
 3     -1.0830   -1.0832        6.4518    6.4522       -1.1918   -1.1917
 4     -1.1916   -1.1917       -0.0000    0.0000       -1.0837   -1.0832
 5     -5.3544   -5.3544        1.0837    1.0832        0.1175    0.1180
 6      1.1918    1.1917       -0.1175   -0.1180        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.3541   -0.3541        3.2495    3.2495
 2     -3.5752   -3.5752       -0.0000    0.0000        3.2495    3.2495
 3     -3.5752   -3.5752       -0.3541   -0.3541        0.0000    0.0000
 4     -0.3541   -0.3541        3.5752    3.5752       -3.2935   -3.2935
 5     -3.2495   -3.2495       19.3566   19.3566       -3.5752   -3.5752
 6    -16.0631  -16.0631        3.2495    3.2495        0.3541    0.3541
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0104    0.0000       -0.4746   -0.4721       -4.3360   -4.3327
 2      0.4636    0.4721       -4.7513   -4.7670        4.4097    4.3913
 3      4.3410    4.3327      -25.8308  -25.8088        4.7909    4.7670
 4      4.7660    4.7670        0.0002    0.0000        4.3180    4.3327
 5     21.3754   21.4175       -4.3601   -4.3327       -0.4850   -0.4721
 6     -4.8107   -4.7670        0.4708    0.4721        0.0130    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0160    0.0000       -8.1817   -8.1500        1.8054    1.8137
 2      8.0944    8.1500       -5.4269   -5.5215       18.7109   18.6738
 3     -1.9149   -1.8137        0.2663    0.2530        5.5076    5.5215
 4      5.5178    5.5215       -0.0029    0.0000       -1.8189   -1.8137
 5    -18.9814  -18.9268        1.8003    1.8137       -8.1786   -8.1500
 6     -5.5167   -5.5215        8.2095    8.1500        0.0231    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0910   -0.0377      -13.2710  -13.2988       -4.8522   -4.8542
 2      6.5786    6.6269      -14.3298  -14.2814       -4.8929   -4.8542
 3      6.5787    6.6269      -13.3214  -13.2988       -6.3680   -6.3411
 4      0.9724    0.9827       -6.6093   -6.6646       14.6422   14.6106
 5     -1.5514   -1.4869       13.7687   13.7834        6.6654    6.6646
 6    -28.4246  -28.3940        1.4322    1.4869       -0.9965   -0.9827
 Full mass-weighted force constant matrix:
 Low frequencies ---   -4.2270   -0.0011   -0.0010   -0.0006    5.3769    7.6607
 Low frequencies ---   71.0656  239.9752  256.0351
 Diagonal vibrational polarizability:
       17.3564557      12.5954481       9.1215929
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   20491.80
                      1                      2                      3
                      A                      A                      A
 Frequencies --     71.0626               239.9752               256.0351
 Red. masses --      3.8742                 1.3821                 1.5419
 Frc consts  --      0.0115                 0.0469                 0.0596
 IR Inten    --      1.0987                 1.2856                 1.4789
 RamAct Fr= 1--      0.9180                 0.4222                 0.3237
  Dep-P Fr= 1--      0.7271                 0.5675                 0.4800
  Dep-U Fr= 1--      0.8420                 0.7241                 0.6486
 Alpha2 Fr= 1--      0.0004                 0.0015                 0.0018
 Beta2  Fr= 1--      0.1288                 0.0510                 0.0350
 AlphaG Fr= 1--      0.0011                -0.0013                -0.0049
 Gamma2 Fr= 1--      0.2212                -0.0168                -0.1057
 Delta2 Fr= 1--      0.1361                -0.0667                 0.0176
 Raman1 Fr= 1--       3.672                  1.689                  1.295
 ROA1   Fr= 1--      25.585                 -3.751                 -9.584
 CID1   Fr= 1--       6.967                 -2.221                 -7.401
 Raman2 Fr= 1--       1.546                  0.611                  0.420
 ROA2   Fr= 1--       4.219                  0.130                 -2.678
 CID2   Fr= 1--       2.729                  0.213                 -6.376
 Raman3 Fr= 1--       3.092                  1.223                  0.840
 ROA3   Fr= 1--      25.585                 -3.751                 -9.584
 CID3   Fr= 1--       8.275                 -3.067                -11.410
 RC180  Fr= 1--       0.684                  0.448                  0.297
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.12   0.19     0.12  -0.01   0.01    -0.12   0.03  -0.01
     2   6    -0.00   0.05  -0.01    -0.01  -0.03  -0.06    -0.00   0.05   0.05
     3   6    -0.01   0.01  -0.03    -0.02  -0.01  -0.02     0.01   0.01   0.02
     4   8     0.05  -0.11  -0.21    -0.04   0.04   0.05     0.06  -0.05  -0.01
     5   7     0.02   0.02  -0.16    -0.01  -0.02  -0.03     0.05   0.03   0.05
     6   8    -0.08   0.14   0.21    -0.04   0.02   0.03    -0.01  -0.05  -0.07
     7   1    -0.02   0.22   0.05    -0.05  -0.03  -0.05     0.01   0.05   0.04
     8   1    -0.02  -0.12   0.27    -0.04  -0.31   0.43    -0.22  -0.31   0.12
     9   1     0.07  -0.28   0.13     0.66   0.20   0.06     0.13   0.22   0.05
    10   1    -0.05  -0.08   0.30    -0.12   0.10  -0.41    -0.40   0.18  -0.26
    11   1    -0.09  -0.01  -0.48     0.01  -0.01   0.04    -0.11   0.02  -0.41
    12   1     0.32  -0.01  -0.15    -0.08  -0.01  -0.04     0.48  -0.14   0.15
    13   1    -0.08   0.15   0.24    -0.04  -0.00  -0.03    -0.05   0.04   0.08
                      4                      5                      6
                      A                      A                      A
 Frequencies --    282.7451               339.0367               392.7301
 Red. masses --      1.3973                 3.4037                 2.9360
 Frc consts  --      0.0658                 0.2305                 0.2668
 IR Inten    --     27.8476                12.0435                 1.1059
 RamAct Fr= 1--      0.5202                 0.5895                 0.8480
  Dep-P Fr= 1--      0.7472                 0.2994                 0.7114
  Dep-U Fr= 1--      0.8553                 0.4608                 0.8314
 Alpha2 Fr= 1--      0.0000                 0.0061                 0.0006
 Beta2  Fr= 1--      0.0741                 0.0453                 0.1175
 AlphaG Fr= 1--     -0.0013                 0.0032                -0.0003
 Gamma2 Fr= 1--      0.2931                 0.0965                 0.2303
 Delta2 Fr= 1--      0.2326                 0.1212                -0.0947
 Raman1 Fr= 1--       2.081                  2.358                  3.392
 ROA1   Fr= 1--      35.577                 13.139                 19.081
 CID1   Fr= 1--      17.099                  5.572                  5.625
 Raman2 Fr= 1--       0.890                  0.543                  1.410
 ROA2   Fr= 1--       5.172                  1.346                  6.286
 CID2   Fr= 1--       5.813                  2.477                  4.458
 Raman3 Fr= 1--       1.780                  1.087                  2.820
 ROA3   Fr= 1--      35.577                 13.139                 19.081
 CID3   Fr= 1--      19.992                 12.092                  6.766
 RC180  Fr= 1--       0.711                 -0.078                  0.663
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.11  -0.01   0.00    -0.06   0.04  -0.02     0.04   0.20   0.02
     2   6     0.01   0.04   0.02     0.01  -0.03   0.09    -0.04   0.02   0.14
     3   6     0.03   0.02   0.01     0.02  -0.06   0.09    -0.07  -0.02   0.08
     4   8     0.09  -0.04  -0.03    -0.07  -0.02  -0.05    -0.11  -0.03  -0.07
     5   7     0.05  -0.00  -0.03    -0.19   0.07  -0.14     0.17  -0.13  -0.11
     6   8    -0.04   0.01   0.01     0.27  -0.03   0.07    -0.03  -0.05   0.01
     7   1    -0.01   0.02   0.02     0.18   0.05   0.11     0.00   0.05   0.15
     8   1    -0.15  -0.22   0.04    -0.11  -0.20   0.00     0.08   0.35  -0.02
     9   1     0.01   0.05   0.02     0.05   0.25   0.05    -0.01   0.44   0.10
    10   1    -0.28   0.09  -0.06    -0.24   0.12  -0.24     0.22   0.08  -0.19
    11   1     0.26  -0.09   0.61    -0.17   0.19  -0.12     0.17  -0.43  -0.01
    12   1    -0.47   0.25  -0.17    -0.30   0.24  -0.24     0.21   0.15  -0.29
    13   1    -0.05  -0.02  -0.19     0.42  -0.21   0.17    -0.02  -0.09  -0.11
                      7                      8                      9
                      A                      A                      A
 Frequencies --    532.4147               639.0061               744.7541
 Red. masses --      4.9058                 4.1232                 4.9450
 Frc consts  --      0.8193                 0.9920                 1.6160
 IR Inten    --      2.0497                 7.1743                14.8971
 RamAct Fr= 1--      3.1271                 1.5196                 2.2322
  Dep-P Fr= 1--      0.1697                 0.7230                 0.0912
  Dep-U Fr= 1--      0.2901                 0.8393                 0.1672
 Alpha2 Fr= 1--      0.0460                 0.0007                 0.0399
 Beta2  Fr= 1--      0.1512                 0.2126                 0.0622
 AlphaG Fr= 1--      0.0028                -0.0014                 0.0280
 Gamma2 Fr= 1--      0.2271                -0.6147                -1.1454
 Delta2 Fr= 1--      0.0385                 0.1201                 0.0244
 Raman1 Fr= 1--      12.509                  6.078                  8.929
 ROA1   Fr= 1--      23.031                -55.166               -109.176
 CID1   Fr= 1--       1.841                 -9.076                -12.228
 Raman2 Fr= 1--       1.814                  2.551                  0.747
 ROA2   Fr= 1--       5.141                -15.713                -27.684
 CID2   Fr= 1--       2.834                 -6.160                -37.083
 Raman3 Fr= 1--       3.629                  5.101                  1.493
 ROA3   Fr= 1--      23.031                -55.166               -109.176
 CID3   Fr= 1--       6.347                -10.814                -73.122
 RC180  Fr= 1--      -0.420                  0.679                 -0.666
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.10   0.04     0.05  -0.07  -0.02     0.07  -0.11  -0.10
     2   6    -0.22  -0.07   0.03     0.15  -0.13   0.21    -0.05   0.01  -0.04
     3   6     0.02   0.10  -0.08     0.15   0.12   0.12    -0.19   0.24   0.41
     4   8     0.28  -0.07   0.11     0.06   0.16  -0.13     0.02  -0.14  -0.06
     5   7    -0.17  -0.22  -0.05    -0.15  -0.10  -0.01     0.01   0.04  -0.02
     6   8     0.06   0.16  -0.06    -0.17  -0.03  -0.04     0.03   0.05  -0.14
     7   1    -0.39  -0.08   0.04     0.24  -0.14   0.21     0.33  -0.16  -0.12
     8   1    -0.00   0.39   0.13     0.10  -0.15  -0.24     0.01   0.11   0.27
     9   1     0.00   0.26   0.09    -0.10   0.21   0.07     0.34  -0.33  -0.17
    10   1     0.23  -0.07  -0.15     0.03  -0.07  -0.19     0.23  -0.20  -0.01
    11   1    -0.23  -0.29  -0.18    -0.21   0.21  -0.30     0.06  -0.06   0.16
    12   1    -0.03  -0.12  -0.12    -0.14   0.11  -0.15     0.01  -0.10   0.08
    13   1     0.17   0.03   0.02    -0.35   0.21  -0.20     0.08   0.02   0.12
                     10                     11                     12
                      A                      A                      A
 Frequencies --    802.2192               845.8360               874.2559
 Red. masses --      2.8268                 1.3684                 1.2854
 Frc consts  --      1.0718                 0.5768                 0.5789
 IR Inten    --      9.7925                80.6785                78.9541
 RamAct Fr= 1--      8.1113                 2.3031                 0.9558
  Dep-P Fr= 1--      0.0280                 0.3309                 0.2683
  Dep-U Fr= 1--      0.0545                 0.4972                 0.4231
 Alpha2 Fr= 1--      0.1688                 0.0215                 0.0108
 Beta2  Fr= 1--      0.0737                 0.1909                 0.0674
 AlphaG Fr= 1--     -0.0763                 0.0840                -0.0555
 Gamma2 Fr= 1--      0.0821                -0.1883                 0.1827
 Delta2 Fr= 1--      0.1772                -0.2644                 0.3278
 Raman1 Fr= 1--      32.445                  9.213                  3.823
 ROA1   Fr= 1--      13.556                -26.541                 28.025
 CID1   Fr= 1--       0.418                 -2.881                  7.330
 Raman2 Fr= 1--       0.885                  2.290                  0.809
 ROA2   Fr= 1--       0.554                 -2.404                  1.762
 CID2   Fr= 1--       0.626                 -1.050                  2.179
 Raman3 Fr= 1--       1.770                  4.581                  1.618
 ROA3   Fr= 1--      13.556                -26.541                 28.025
 CID3   Fr= 1--       7.660                 -5.794                 17.324
 RC180  Fr= 1--      -0.891                 -0.006                 -0.154
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07  -0.06  -0.02     0.02  -0.06   0.00    -0.02   0.06   0.02
     2   6     0.11  -0.03   0.12    -0.01  -0.05   0.07     0.04   0.02  -0.05
     3   6    -0.16  -0.02  -0.09    -0.01  -0.02  -0.04    -0.01   0.00   0.00
     4   8    -0.03  -0.13   0.08    -0.00  -0.00   0.03    -0.01   0.00   0.01
     5   7     0.06  -0.01   0.05    -0.00   0.09  -0.08     0.02  -0.10   0.01
     6   8    -0.03   0.18  -0.08    -0.00   0.02  -0.04     0.01  -0.02  -0.03
     7   1     0.01   0.05   0.15    -0.02   0.13   0.13     0.08  -0.08  -0.08
     8   1     0.11  -0.28  -0.35     0.07  -0.04  -0.17    -0.05   0.01   0.12
     9   1    -0.16   0.12   0.04    -0.10   0.21   0.09     0.04  -0.11  -0.04
    10   1    -0.07   0.01  -0.10     0.08  -0.11  -0.21    -0.09   0.12   0.19
    11   1    -0.03   0.37  -0.29     0.13  -0.23   0.36    -0.00   0.22  -0.11
    12   1    -0.14   0.44  -0.24     0.11  -0.23   0.14    -0.28   0.20  -0.18
    13   1     0.21  -0.16  -0.04    -0.15   0.35   0.59    -0.14   0.34   0.72
                     13                     14                     15
                      A                      A                      A
 Frequencies --    941.4244              1015.9197              1060.1932
 Red. masses --      1.8242                 1.5005                 1.6996
 Frc consts  --      0.9526                 0.9124                 1.1256
 IR Inten    --     37.4900                 1.0380                33.3234
 RamAct Fr= 1--      2.9329                 2.3201                 4.1845
  Dep-P Fr= 1--      0.3940                 0.7199                 0.2113
  Dep-U Fr= 1--      0.5653                 0.8371                 0.3488
 Alpha2 Fr= 1--      0.0222                 0.0012                 0.0551
 Beta2  Fr= 1--      0.2763                 0.3237                 0.2433
 AlphaG Fr= 1--      0.0194                 0.0040                -0.0299
 Gamma2 Fr= 1--      0.7294                -0.7076                -0.0167
 Delta2 Fr= 1--      0.3654                 0.0158                -0.7679
 Raman1 Fr= 1--      11.732                  9.281                 16.738
 ROA1   Fr= 1--      81.712                -67.428                -26.179
 CID1   Fr= 1--       6.965                 -7.266                 -1.564
 Raman2 Fr= 1--       3.316                  3.884                  2.919
 ROA2   Fr= 1--      14.582                -17.110                  5.741
 CID2   Fr= 1--       4.398                 -4.405                  1.967
 Raman3 Fr= 1--       6.632                  7.769                  5.839
 ROA3   Fr= 1--      81.712                -67.428                -26.179
 CID3   Fr= 1--      12.322                 -8.679                 -4.484
 RC180  Fr= 1--       0.131                  0.674                 -0.302
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.12  -0.07    -0.11  -0.00   0.10     0.09  -0.04   0.05
     2   6    -0.15   0.03   0.04     0.05  -0.10  -0.08    -0.02   0.11  -0.10
     3   6     0.03   0.02  -0.02    -0.01   0.01   0.02    -0.05   0.08   0.05
     4   8     0.02   0.04  -0.01    -0.00  -0.01  -0.00     0.01   0.01  -0.02
     5   7     0.08   0.06   0.05     0.06   0.02  -0.02    -0.01  -0.08   0.02
     6   8     0.02  -0.07   0.04    -0.01   0.01  -0.01     0.02  -0.07   0.03
     7   1    -0.32   0.03   0.05     0.10   0.08  -0.03    -0.34   0.48   0.05
     8   1     0.01   0.19   0.06    -0.05   0.36   0.11     0.18  -0.26  -0.45
     9   1     0.11   0.03  -0.03    -0.02   0.36   0.21    -0.27   0.26   0.14
    10   1     0.26  -0.31  -0.29     0.20  -0.21  -0.27    -0.13   0.07  -0.17
    11   1    -0.02   0.19  -0.23     0.10   0.55  -0.07    -0.01   0.10  -0.01
    12   1    -0.06   0.56  -0.28    -0.23  -0.25   0.15    -0.15  -0.17   0.07
    13   1    -0.04   0.04   0.16     0.03  -0.05  -0.08     0.04  -0.08   0.05
                     16                     17                     18
                      A                      A                      A
 Frequencies --   1131.6660              1206.6474              1272.5746
 Red. masses --      2.4284                 2.4347                 1.4646
 Frc consts  --      1.8324                 2.0886                 1.3974
 IR Inten    --     11.8124                15.7688                 3.0975
 RamAct Fr= 1--      1.8157                 6.7446                 3.2047
  Dep-P Fr= 1--      0.6915                 0.6951                 0.2670
  Dep-U Fr= 1--      0.8176                 0.8201                 0.4214
 Alpha2 Fr= 1--      0.0019                 0.0065                 0.0362
 Beta2  Fr= 1--      0.2474                 0.9219                 0.2251
 AlphaG Fr= 1--      0.0033                -0.0036                 0.0186
 Gamma2 Fr= 1--      0.2892                -0.6599                -0.7383
 Delta2 Fr= 1--      0.6592                -0.0438                 0.6453
 Raman1 Fr= 1--       7.263                 26.978                 12.819
 ROA1   Fr= 1--      48.854                -64.753                -50.222
 CID1   Fr= 1--       6.727                 -2.400                 -3.918
 Raman2 Fr= 1--       2.969                 11.063                  2.701
 ROA2   Fr= 1--       1.666                -15.487                -22.881
 CID2   Fr= 1--       0.561                 -1.400                 -8.471
 Raman3 Fr= 1--       5.938                 22.125                  5.402
 ROA3   Fr= 1--      48.854                -64.753                -50.222
 CID3   Fr= 1--       8.227                 -2.927                 -9.296
 RC180  Fr= 1--       0.635                  0.640                 -0.157
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06  -0.09  -0.07     0.02  -0.02   0.08    -0.03  -0.04   0.07
     2   6     0.07   0.25   0.05    -0.06  -0.00  -0.14     0.07   0.03  -0.07
     3   6     0.06  -0.10  -0.01     0.16  -0.14   0.15    -0.07   0.06  -0.06
     4   8    -0.04  -0.02   0.02    -0.06  -0.04   0.01     0.03   0.02  -0.00
     5   7    -0.06  -0.11   0.03    -0.01   0.03   0.05    -0.05   0.01   0.05
     6   8     0.01   0.06  -0.02     0.02   0.11  -0.06    -0.01  -0.04   0.02
     7   1     0.36   0.51   0.12    -0.06  -0.16  -0.19     0.48  -0.25  -0.20
     8   1    -0.05   0.29   0.16     0.08  -0.03  -0.17     0.05   0.12  -0.11
     9   1     0.25  -0.00  -0.05    -0.23   0.26   0.18    -0.02   0.23   0.16
    10   1     0.26  -0.29  -0.21    -0.09   0.03  -0.13     0.06  -0.11  -0.19
    11   1    -0.06  -0.09   0.04    -0.10  -0.26  -0.10    -0.10  -0.46   0.05
    12   1    -0.10  -0.20   0.08     0.08   0.35  -0.17     0.17   0.32  -0.15
    13   1    -0.07   0.13  -0.09    -0.28   0.46  -0.25     0.14  -0.22   0.16
                     19                     20                     21
                      A                      A                      A
 Frequencies --   1336.3115              1361.4278              1407.1613
 Red. masses --      1.5282                 1.3474                 1.3486
 Frc consts  --      1.6079                 1.4714                 1.5734
 IR Inten    --     10.3129                33.3786               150.5979
 RamAct Fr= 1--      1.7624                 4.2945                 2.0503
  Dep-P Fr= 1--      0.7495                 0.4008                 0.2884
  Dep-U Fr= 1--      0.8568                 0.5722                 0.4477
 Alpha2 Fr= 1--      0.0000                 0.0317                 0.0218
 Beta2  Fr= 1--      0.2517                 0.4096                 0.1530
 AlphaG Fr= 1--      0.0006                -0.0419                 0.0074
 Gamma2 Fr= 1--      0.7051                 0.1934                -0.1093
 Delta2 Fr= 1--      0.0455                -1.0153                 0.0594
 Raman1 Fr= 1--       7.049                 17.178                  8.201
 ROA1   Fr= 1--      69.143                -13.918                 -8.590
 CID1   Fr= 1--       9.808                 -0.810                 -1.047
 Raman2 Fr= 1--       3.020                  4.915                  1.836
 ROA2   Fr= 1--      16.558                 12.765                 -3.097
 CID2   Fr= 1--       5.483                  2.597                 -1.687
 Raman3 Fr= 1--       6.040                  9.829                  3.672
 ROA3   Fr= 1--      69.143                -13.918                 -8.590
 CID3   Fr= 1--      11.448                 -1.416                 -2.339
 RC180  Fr= 1--       0.714                  0.144                 -0.105
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06  -0.00   0.02    -0.01   0.03  -0.03    -0.05   0.08   0.06
     2   6    -0.19   0.00   0.03    -0.00  -0.13  -0.06     0.02  -0.04  -0.01
     3   6     0.00  -0.02  -0.04     0.01  -0.01   0.02    -0.05   0.06  -0.04
     4   8     0.02   0.02   0.00     0.01   0.02  -0.01    -0.01  -0.03   0.01
     5   7     0.05  -0.01  -0.00    -0.00   0.01   0.05    -0.01  -0.00   0.01
     6   8     0.00  -0.00   0.01    -0.03   0.01  -0.01     0.06  -0.03   0.03
     7   1     0.87   0.02  -0.03     0.18   0.82   0.24     0.07   0.14   0.05
     8   1     0.05  -0.14  -0.07    -0.07   0.01   0.16    -0.02  -0.31  -0.26
     9   1    -0.18  -0.04   0.01    -0.02  -0.04  -0.05     0.18  -0.38  -0.11
    10   1    -0.12   0.09  -0.06    -0.01   0.05   0.11     0.32  -0.17  -0.27
    11   1     0.04   0.21  -0.07    -0.05  -0.21   0.00    -0.03  -0.04  -0.02
    12   1    -0.15  -0.12   0.07     0.07   0.25  -0.10     0.02   0.08  -0.04
    13   1    -0.04   0.06  -0.06     0.10  -0.14   0.10    -0.30   0.44  -0.29
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1414.3936              1498.0989              1501.6765
 Red. masses --      1.4122                 1.0424                 1.0582
 Frc consts  --      1.6645                 1.3783                 1.4059
 IR Inten    --    216.1815                 6.6874                 8.1589
 RamAct Fr= 1--      1.7348                 4.9750                 3.9110
  Dep-P Fr= 1--      0.1591                 0.7500                 0.7456
  Dep-U Fr= 1--      0.2746                 0.8571                 0.8542
 Alpha2 Fr= 1--      0.0262                 0.0000                 0.0003
 Beta2  Fr= 1--      0.0794                 0.7107                 0.5568
 AlphaG Fr= 1--      0.0115                 0.0006                 0.0024
 Gamma2 Fr= 1--      0.1247                -0.9701                -0.1307
 Delta2 Fr= 1--     -0.1547                 0.2575                -0.3203
 Raman1 Fr= 1--       6.939                 19.900                 15.644
 ROA1   Fr= 1--       7.022                -84.890                -22.793
 CID1   Fr= 1--       1.012                 -4.266                 -1.457
 Raman2 Fr= 1--       0.953                  8.528                  6.682
 ROA2   Fr= 1--       4.231                -25.342                 -0.573
 CID2   Fr= 1--       4.441                 -2.971                 -0.086
 Raman3 Fr= 1--       1.905                 17.057                 13.364
 ROA3   Fr= 1--       7.022                -84.890                -22.793
 CID3   Fr= 1--       3.686                 -4.977                 -1.706
 RC180  Fr= 1--      -0.451                  0.714                  0.708
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.07  -0.06    -0.01  -0.03   0.04    -0.05  -0.01  -0.01
     2   6     0.03  -0.03   0.00    -0.01  -0.02   0.01    -0.04  -0.01  -0.00
     3   6    -0.06   0.08  -0.06     0.01  -0.00   0.00     0.01  -0.01   0.01
     4   8    -0.01  -0.04   0.02    -0.00  -0.00   0.00     0.00   0.01  -0.00
     5   7    -0.01  -0.00   0.01     0.00   0.00  -0.00     0.01   0.00   0.00
     6   8     0.07  -0.04   0.04    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     7   1     0.06   0.08   0.04    -0.01   0.06   0.04     0.06   0.01  -0.01
     8   1     0.00   0.30   0.26     0.20   0.53  -0.38     0.05  -0.17  -0.41
     9   1    -0.09   0.39   0.10     0.38  -0.28  -0.07     0.57   0.35   0.09
    10   1    -0.27   0.15   0.34    -0.46   0.23  -0.19     0.16  -0.08   0.54
    11   1    -0.01   0.00   0.02     0.01   0.02   0.02     0.00   0.03  -0.02
    12   1     0.06   0.06  -0.03     0.03   0.01  -0.01    -0.01  -0.01   0.01
    13   1    -0.31   0.46  -0.32    -0.00   0.00   0.01     0.01  -0.02   0.01
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1659.3199              1842.0558              3035.7013
 Red. masses --      1.0924                 9.5048                 1.0458
 Frc consts  --      1.7721                19.0020                 5.6782
 IR Inten    --     38.7651               320.7162                10.8740
 RamAct Fr= 1--      4.7097                15.1109               225.1077
  Dep-P Fr= 1--      0.5709                 0.2890                 0.0258
  Dep-U Fr= 1--      0.7269                 0.4484                 0.0502
 Alpha2 Fr= 1--      0.0159                 0.1601                 4.7093
 Beta2  Fr= 1--      0.5706                 1.1293                 1.8839
 AlphaG Fr= 1--     -0.0241                -0.0173                 0.4612
 Gamma2 Fr= 1--     -0.7505                 0.1233                 1.3773
 Delta2 Fr= 1--     -0.3907                -0.2896                 0.8307
 Raman1 Fr= 1--      18.839                 60.444                900.431
 ROA1   Fr= 1--     -84.549                  2.570                158.799
 CID1   Fr= 1--      -4.488                  0.043                  0.176
 Raman2 Fr= 1--       6.847                 13.552                 22.606
 ROA2   Fr= 1--     -14.885                  5.276                 26.409
 CID2   Fr= 1--      -2.174                  0.389                  1.168
 Raman3 Fr= 1--      13.694                 27.104                 45.213
 ROA3   Fr= 1--     -84.549                  2.570                158.799
 CID3   Fr= 1--      -6.174                  0.095                  3.512
 RC180  Fr= 1--       0.454                 -0.103                 -0.900
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00   0.01   0.01     0.03  -0.01  -0.04
     2   6    -0.02   0.01  -0.02    -0.04  -0.02   0.00     0.00  -0.01   0.03
     3   6     0.00  -0.01   0.01     0.50   0.48  -0.16    -0.00  -0.00   0.00
     4   8     0.00   0.00  -0.00    -0.31  -0.30   0.10     0.00   0.00  -0.00
     5   7    -0.05  -0.05  -0.01    -0.01  -0.01   0.00     0.00  -0.00  -0.00
     6   8    -0.00   0.00  -0.00    -0.06  -0.03   0.00     0.00  -0.00   0.00
     7   1     0.04   0.02  -0.02     0.16   0.03  -0.02    -0.02   0.13  -0.39
     8   1    -0.01  -0.04  -0.00    -0.00  -0.07  -0.05    -0.52   0.09  -0.15
     9   1    -0.02   0.00   0.01     0.01  -0.00   0.01     0.03  -0.21   0.61
    10   1     0.03  -0.02  -0.01     0.06  -0.02  -0.00     0.17   0.28  -0.03
    11   1     0.19   0.52   0.44    -0.00  -0.01   0.03    -0.00  -0.00  -0.00
    12   1     0.66   0.19  -0.15     0.01   0.01  -0.00    -0.00   0.00   0.01
    13   1     0.01  -0.02   0.00     0.30  -0.34   0.24    -0.00   0.00  -0.00
                     28                     29                     30
                      A                      A                      A
 Frequencies --   3040.1381              3097.6657              3133.8202
 Red. masses --      1.0751                 1.1028                 1.0995
 Frc consts  --      5.8546                 6.2347                 6.3622
 IR Inten    --     22.9439                23.5526                 6.6228
 RamAct Fr= 1--     46.1400                57.7337                53.5990
  Dep-P Fr= 1--      0.7128                 0.6445                 0.5989
  Dep-U Fr= 1--      0.8323                 0.7838                 0.7491
 Alpha2 Fr= 1--      0.0297                 0.1097                 0.1501
 Beta2  Fr= 1--      6.4006                 7.5423                 6.6920
 AlphaG Fr= 1--     -0.0026                 0.1860                -0.0992
 Gamma2 Fr= 1--      2.4652                 1.7012                -2.5094
 Delta2 Fr= 1--     -0.0015                 3.0038                -1.9289
 Raman1 Fr= 1--     184.560                230.935                214.396
 ROA1   Fr= 1--     236.610                259.439               -302.622
 CID1   Fr= 1--       1.282                  1.123                 -1.412
 Raman2 Fr= 1--      76.807                 90.507                 80.304
 ROA2   Fr= 1--      59.176                 16.798                -44.794
 CID2   Fr= 1--       0.770                  0.186                 -0.558
 Raman3 Fr= 1--     153.614                181.014                160.608
 ROA3   Fr= 1--     236.610                259.439               -302.622
 CID3   Fr= 1--       1.540                  1.433                 -1.884
 RC180  Fr= 1--       0.665                  0.568                  0.498
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.01  -0.00    -0.06   0.03  -0.07    -0.06  -0.07   0.02
     2   6    -0.00   0.02  -0.07    -0.00   0.00  -0.01    -0.00  -0.00   0.00
     3   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     4   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     5   7    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     6   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     7   1     0.05  -0.28   0.84     0.01  -0.05   0.15    -0.00   0.01  -0.04
     8   1    -0.36   0.06  -0.10     0.67  -0.11   0.18     0.23  -0.05   0.07
     9   1     0.01  -0.05   0.17     0.01  -0.22   0.65    -0.02   0.08  -0.26
    10   1     0.11   0.17  -0.02    -0.00   0.02  -0.02     0.47   0.79  -0.06
    11   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    12   1     0.01  -0.01  -0.01     0.00  -0.00  -0.00     0.00   0.00  -0.00
    13   1    -0.00  -0.01   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
                     31                     32                     33
                      A                      A                      A
 Frequencies --   3453.6614              3510.3946              3587.2423
 Red. masses --      1.0641                 1.0494                 1.0949
 Frc consts  --      7.4779                 7.6193                 8.3011
 IR Inten    --    246.2172                 0.7138                 9.6433
 RamAct Fr= 1--     88.5690               134.0996                60.7646
  Dep-P Fr= 1--      0.0891                 0.0952                 0.7349
  Dep-U Fr= 1--      0.1637                 0.1739                 0.8472
 Alpha2 Fr= 1--      1.5923                 2.3754                 0.0156
 Beta2  Fr= 1--      2.4162                 3.8867                 8.5801
 AlphaG Fr= 1--     -0.0367                -0.4162                -0.1063
 Gamma2 Fr= 1--     -0.4904                 2.1894                -9.3659
 Delta2 Fr= 1--     -1.6076                 3.5239                -0.5744
 Raman1 Fr= 1--     354.276                536.398                243.059
 ROA1   Fr= 1--     -98.526                322.944               -917.510
 CID1   Fr= 1--      -0.278                  0.602                 -3.775
 Raman2 Fr= 1--      28.995                 46.640                102.961
 ROA2   Fr= 1--       1.091                 24.353               -220.188
 CID2   Fr= 1--       0.038                  0.522                 -2.139
 Raman3 Fr= 1--      57.989                 93.280                205.921
 ROA3   Fr= 1--     -98.526                322.944               -917.510
 CID3   Fr= 1--      -1.699                  3.462                 -4.456
 RC180  Fr= 1--      -0.673                 -0.652                  0.694
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     2   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     3   6    -0.00  -0.01   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     4   8     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     5   7    -0.01  -0.00  -0.00    -0.04  -0.03  -0.03    -0.05   0.03   0.06
     6   8    -0.05  -0.03   0.01     0.01   0.00  -0.00     0.00   0.00  -0.00
     7   1    -0.00  -0.01   0.01     0.00   0.00   0.01    -0.00   0.00  -0.01
     8   1    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     9   1     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    10   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    11   1     0.09  -0.01  -0.03     0.61  -0.07  -0.24     0.70  -0.08  -0.24
    12   1    -0.00   0.04   0.07    -0.02   0.40   0.62    -0.01  -0.35  -0.56
    13   1     0.81   0.56  -0.11    -0.10  -0.07   0.01    -0.02  -0.01   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  8 and mass  15.99491
 Atom     5 has atomic number  7 and mass  14.00307
 Atom     6 has atomic number  8 and mass  15.99491
 Atom     7 has atomic number  1 and mass   1.00783
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Molecular mass:    89.04768 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   361.21667 561.13343 778.07344
           X            0.99918  -0.04047  -0.00213
           Y            0.04053   0.99832   0.04146
           Z            0.00045  -0.04151   0.99914
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Rotational temperatures (Kelvin)      0.23978     0.15436     0.11132
 Rotational constants (GHZ):           4.99628     3.21624     2.31950
 Zero-point vibrational energy     284278.0 (Joules/Mol)
                                   67.94406 (Kcal/Mol)
 Warning -- explicit consideration of   7 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    102.24   345.27   368.38   406.81   487.80
          (Kelvin)            565.05   766.03   919.39  1071.54  1154.21
                             1216.97  1257.86  1354.50  1461.68  1525.38
                             1628.21  1736.10  1830.95  1922.65  1958.79
                             2024.59  2035.00  2155.43  2160.58  2387.39
                             2650.31  4367.70  4374.08  4456.85  4508.87
                             4969.05  5050.67  5161.24
 
 Zero-point correction=                           0.108276 (Hartree/Particle)
 Thermal correction to Energy=                    0.114858
 Thermal correction to Enthalpy=                  0.115802
 Thermal correction to Gibbs Free Energy=         0.078008
 Sum of electronic and zero-point Energies=           -323.796661
 Sum of electronic and thermal Energies=              -323.790078
 Sum of electronic and thermal Enthalpies=            -323.789134
 Sum of electronic and thermal Free Energies=         -323.826929
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   72.074             23.295             79.545
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             39.372
 Rotational               0.889              2.981             26.558
 Vibrational             70.297             17.333             13.615
 Vibration     1          0.598              1.968              4.124
 Vibration     2          0.657              1.779              1.803
 Vibration     3          0.666              1.753              1.689
 Vibration     4          0.682              1.706              1.517
 Vibration     5          0.719              1.597              1.217
 Vibration     6          0.760              1.486              0.990
 Vibration     7          0.887              1.178              0.582
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.131520D-35        -35.881009        -82.619077
 Total V=0       0.836255D+14         13.922339         32.057369
 Vib (Bot)       0.280111D-48        -48.552670       -111.796654
 Vib (Bot)    1  0.290185D+01          0.462675          1.065348
 Vib (Bot)    2  0.817096D+00         -0.087727         -0.201998
 Vib (Bot)    3  0.760083D+00         -0.119139         -0.274328
 Vib (Bot)    4  0.678993D+00         -0.168134         -0.387144
 Vib (Bot)    5  0.548017D+00         -0.261206         -0.601450
 Vib (Bot)    6  0.456240D+00         -0.340806         -0.784735
 Vib (Bot)    7  0.299708D+00         -0.523302         -1.204948
 Vib (V=0)       0.178106D+02          1.250678          2.879792
 Vib (V=0)    1  0.344461D+01          0.537140          1.236810
 Vib (V=0)    2  0.145794D+01          0.163739          0.377024
 Vib (V=0)    3  0.140979D+01          0.149156          0.343444
 Vib (V=0)    4  0.134323D+01          0.128149          0.295075
 Vib (V=0)    5  0.124184D+01          0.094065          0.216592
 Vib (V=0)    6  0.117687D+01          0.070729          0.162860
 Vib (V=0)    7  0.108294D+01          0.034606          0.079684
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.330284D+08          7.518888         17.312879
 Rotational      0.142159D+06          5.152773         11.864698
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3  3 3           3333                                         1      1   11  1111 1  1 1  1 1                                   
     5  5 4           1000                                         8      6   54  4433 2  2 1  0 0 9  888 7   6   5    33 222        
     8  1 5           3943                                         4      5   09  1063 7  0 3  6 1 4  740 4   3   3    93 854     7  
     7  0 4           4806                                         2      9   28  4716 3  7 2  0 6 1  462 5   9   2    39 360     1  
 
     X  X X           XXXX                                         X      X   XX  XXXX X  X X  X X X  XXX X   X   X    XX XXX     X  
          X                                                        X      X       XXX          X   X  XX                  X          
          X                                                        X              XX                  XX                             
          X                                                        X              XX                  XX                             
          X                                                        X              XX                  XX                             
          X                                                        X              XX                                                 
          X                                                        X              XX                                                 
          X                                                        X              XX                                                 
          X                                                        X              XX                                                 
          X                                                        X              X                                                  
          X                                                        X              X                                                  
          X                                                        X              X                                                  
          X                                                        X              X                                                  
          X                                                        X                                                                 
          X                                                        X                                                                 
                                                                   X                                                                 
                                                                   X                                                                 
                                                                   X                                                                 
                                                                   X                                                                 
                                                                   X                                                                 
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000001164   -0.000000886    0.000001415
      2        6           0.000016490    0.000020053    0.000004374
      3        6          -0.000007848    0.000042400   -0.000024156
      4        8          -0.000004338   -0.000006686   -0.000000567
      5        7           0.000011045   -0.000025000    0.000006469
      6        8          -0.000010862   -0.000025158    0.000015845
      7        1          -0.000005428   -0.000000338    0.000000884
      8        1          -0.000001419   -0.000002172    0.000001096
      9        1          -0.000001571    0.000003068   -0.000002079
     10        1           0.000000703    0.000000149   -0.000002611
     11        1          -0.000004210    0.000003792    0.000000261
     12        1          -0.000001060    0.000001901   -0.000004464
     13        1           0.000007333   -0.000011123    0.000003533
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000042400 RMS     0.000011661
 Force constants in Cartesian coordinates: 
                1             2             3             4             5 
      1  0.560449D+00
      2  0.390114D-01  0.528359D+00
      3  0.257305D-01 -0.484977D-01  0.523877D+00
      4 -0.956741D-01  0.181657D-01  0.230134D-01  0.449421D+00
      5  0.367352D-01 -0.117455D+00 -0.422128D-01  0.506987D-02  0.477556D+00
      6  0.362255D-01 -0.383800D-01 -0.117902D+00 -0.258494D-02 -0.518976D-01
      7 -0.197095D-01  0.178730D-01  0.671031D-02 -0.137951D+00  0.547164D-02
      8  0.246513D-01 -0.482219D-02  0.560729D-02  0.278348D-01 -0.726638D-01
      9  0.231860D-01 -0.140194D-02  0.829652D-02 -0.238542D-01 -0.377183D-02
     10  0.521506D-03 -0.381037D-02 -0.189045D-02 -0.271805D-01 -0.308966D-01
     11 -0.739015D-03 -0.305251D-02 -0.217968D-02 -0.150939D-01  0.295821D-02
     12 -0.283159D-02 -0.275400D-03 -0.213304D-03 -0.177216D-02  0.275395D-02
     13  0.499935D-02  0.974924D-02 -0.215037D-02 -0.103127D+00 -0.642390D-01
     14 -0.170145D-01 -0.343644D-01 -0.565609D-03 -0.279652D-01 -0.164781D+00
     15 -0.115233D-01 -0.230453D-01  0.217886D-02  0.167306D-01 -0.521200D-02
     16 -0.107439D-02 -0.381690D-03 -0.218114D-02 -0.108058D-01  0.234136D-01
     17 -0.155777D-03  0.182825D-02  0.114377D-02  0.421169D-02 -0.160925D-01
     18 -0.470625D-02 -0.507752D-03 -0.435883D-02 -0.939478D-02  0.221661D-01
     19  0.100633D-02 -0.305459D-02  0.146393D-01 -0.502546D-01  0.340778D-02
     20 -0.697502D-03  0.674794D-02 -0.246419D-01  0.445224D-02 -0.691881D-01
     21 -0.814681D-03  0.356653D-02 -0.204071D-01 -0.177092D-01  0.747975D-01
     22 -0.281579D+00  0.409734D-01 -0.659513D-01 -0.145814D-01  0.172700D-02
     23  0.401166D-01 -0.539943D-01  0.128690D-01  0.242346D-01 -0.749459D-02
     24 -0.680543D-01  0.124323D-01 -0.663586D-01  0.229069D-01 -0.533432D-02
     25 -0.492184D-01  0.328751D-02 -0.896851D-02 -0.127825D-02 -0.493158D-02
     26  0.236920D-02 -0.747641D-01  0.803155D-01 -0.606825D-04  0.625680D-02
     27 -0.807778D-02  0.785230D-01 -0.279549D+00  0.158661D-02  0.566729D-02
     28 -0.119652D+00 -0.122256D+00  0.101919D-01  0.652159D-02  0.115959D-01
     29 -0.117696D+00 -0.244759D+00  0.164585D-01 -0.106863D-01 -0.189200D-01
     30  0.112882D-01  0.185693D-01 -0.486029D-01 -0.118613D-01 -0.165290D-01
     31  0.277090D-02  0.188198D-02  0.458267D-03 -0.154162D-01  0.493498D-02
     32 -0.170575D-02  0.241419D-02  0.916698D-04 -0.338057D-01  0.656224D-03
     33 -0.115046D-02 -0.187741D-02  0.183167D-02  0.410841D-02  0.391169D-02
     34 -0.111072D-02 -0.387599D-03  0.769839D-03 -0.329065D-03 -0.442098D-02
     35 -0.466462D-02 -0.549700D-02  0.152519D-02  0.381286D-03 -0.184367D-01
     36  0.498649D-03  0.124844D-02  0.244973D-03 -0.646518D-03  0.112314D-01
     37 -0.172818D-02 -0.105210D-02 -0.371777D-03  0.654387D-03  0.121324D-01
     38 -0.210102D-03 -0.641168D-03  0.867469D-04  0.326164D-02 -0.239523D-02
     39  0.229457D-03 -0.353940D-03  0.962391D-03 -0.522844D-03  0.442960D-02
                6             7             8             9            10 
      6  0.572846D+00
      7 -0.194268D-01  0.739504D+00
      8 -0.230330D-02  0.260050D+00  0.717733D+00
      9 -0.960729D-01 -0.410551D-01 -0.208645D+00  0.335275D+00
     10  0.932502D-02 -0.428298D+00 -0.300762D+00  0.919644D-01  0.441275D+00
     11  0.811933D-02 -0.311842D+00 -0.384627D+00  0.104719D+00  0.363061D+00
     12  0.165181D-01  0.971746D-01  0.106351D+00 -0.115222D+00 -0.115269D+00
     13  0.295704D-01 -0.214668D-01 -0.246705D-01 -0.859476D-03 -0.107825D-01
     14  0.204497D-01 -0.821869D-02 -0.108228D-01  0.437226D-03 -0.166040D-02
     15 -0.878021D-01 -0.192594D-02  0.478769D-02 -0.996432D-03  0.136792D-02
     16 -0.222509D-01 -0.149029D+00  0.285125D-01 -0.350012D-01  0.269225D-01
     17  0.204211D-01  0.765286D-01 -0.193140D+00  0.910266D-01 -0.271386D-01
     18  0.793529D-02 -0.612742D-01  0.807043D-01 -0.113095D+00  0.176107D-01
     19 -0.192824D-01 -0.212651D-02  0.967707D-02 -0.337060D-01  0.439914D-03
     20  0.745080D-01  0.304952D-02 -0.218734D-02  0.803205D-02 -0.827161D-03
     21 -0.277109D+00  0.728953D-03  0.495704D-02 -0.934757D-02 -0.249128D-03
     22 -0.278767D-02  0.142636D-02  0.814352D-03  0.324797D-02 -0.407820D-03
     23  0.423867D-02 -0.224273D-02 -0.356699D-02 -0.379835D-02  0.969923D-03
     24  0.373795D-02 -0.896958D-03 -0.345841D-02 -0.341758D-02  0.786540D-03
     25  0.146461D-01  0.135627D-02 -0.117048D-02  0.171035D-02 -0.653554D-03
     26 -0.240707D-01 -0.129055D-02  0.134335D-02 -0.238631D-03 -0.830574D-04
     27 -0.211518D-01 -0.195481D-02  0.121756D-02 -0.794758D-03  0.688124D-03
     28 -0.261241D-02  0.757642D-03  0.182719D-02 -0.756104D-03 -0.547325D-03
     29  0.358232D-02 -0.262340D-02 -0.287859D-02  0.101332D-02  0.457655D-03
     30  0.158670D-02 -0.586394D-03 -0.522573D-03  0.909177D-03 -0.165404D-03
     31 -0.738830D-03  0.109714D-02 -0.239025D-02  0.129542D-02 -0.220295D-02
     32  0.116608D-01  0.836646D-03 -0.637440D-02  0.288192D-02 -0.250647D-02
     33 -0.456551D-02 -0.178495D-02  0.529688D-03 -0.151773D-02 -0.124949D-02
     34 -0.159644D-01  0.412098D-03 -0.321361D-02 -0.350815D-03 -0.921065D-03
     35 -0.290751D-01  0.243167D-05 -0.796591D-03 -0.259547D-03 -0.179899D-03
     36  0.498207D-02 -0.150475D-03 -0.160099D-02  0.272185D-03  0.122847D-03
     37 -0.411863D-02  0.140269D-01 -0.211609D-01  0.141788D-01  0.183521D-02
     38  0.274677D-02 -0.375945D-01 -0.371965D-01  0.100051D-01  0.337616D-02
     39 -0.300279D-02  0.244417D-01  0.123752D-01 -0.428908D-02 -0.304167D-02
               11            12            13            14            15 
     11  0.457067D+00
     12 -0.157169D+00  0.950587D-01
     13 -0.435375D-02  0.767549D-03  0.577479D+00
     14  0.235514D-02 -0.295639D-03  0.635867D-01  0.410176D+00
     15 -0.181746D-02  0.260672D-02 -0.152347D+00  0.204758D+00  0.469734D+00
     16 -0.426883D-01  0.262795D-01 -0.180993D-01  0.269298D-02 -0.637952D-02
     17 -0.774144D-01  0.443804D-01 -0.119441D-01  0.675786D-02 -0.412182D-02
     18  0.411179D-01 -0.375856D-02 -0.122274D-02  0.513389D-03  0.456193D-02
     19  0.371480D-03  0.364106D-02 -0.947111D-03 -0.117487D-01  0.169965D-01
     20  0.305041D-03 -0.153853D-02 -0.514445D-02 -0.204801D-01  0.262623D-01
     21 -0.129726D-02  0.232149D-02  0.148010D-02  0.258115D-02  0.289192D-02
     22  0.196080D-03 -0.377174D-03  0.178209D-02 -0.825651D-03 -0.206970D-03
     23  0.153325D-02  0.597457D-03  0.640189D-03  0.240254D-02  0.176759D-03
     24  0.726363D-03  0.522819D-03  0.981642D-04  0.178309D-02  0.269262D-03
     25  0.598701D-04 -0.401066D-03  0.190513D-03 -0.421136D-03 -0.111760D-02
     26  0.861572D-04  0.523108D-04  0.110900D-03  0.218241D-02  0.718070D-03
     27 -0.138958D-03  0.270958D-03 -0.344934D-03  0.728519D-03  0.199700D-02
     28 -0.323562D-03 -0.126365D-04 -0.730117D-03  0.258874D-02  0.214552D-02
     29  0.227245D-02  0.165925D-03  0.177390D-02 -0.234411D-02 -0.419019D-02
     30  0.547027D-03 -0.451021D-03  0.181930D-02 -0.370472D-02 -0.199069D-02
     31 -0.104788D-02  0.190697D-04 -0.384646D+00  0.291168D-01  0.137962D+00
     32  0.313490D-03 -0.772619D-03  0.474960D-01 -0.534599D-01 -0.408491D-01
     33 -0.103188D-02  0.648598D-03  0.998909D-01 -0.290754D-01 -0.637677D-01
     34  0.387371D-03  0.255584D-03 -0.506859D-01 -0.280652D-01 -0.557394D-02
     35 -0.753917D-04  0.369383D-03 -0.136311D-01 -0.132207D+00 -0.156284D+00
     36  0.359025D-03 -0.309661D-03  0.183224D-01 -0.195113D+00 -0.323069D+00
     37  0.120133D-01 -0.747329D-02  0.603302D-02 -0.206582D-02  0.387171D-02
     38 -0.172187D-02  0.538057D-02  0.625953D-03 -0.541436D-02 -0.118269D-02
     39  0.804580D-02  0.200743D-02  0.497556D-02 -0.249692D-02 -0.661445D-02
               16            17            18            19            20 
     16  0.483601D+00
     17  0.122018D+00  0.404096D+00
     18  0.392701D-01 -0.168951D+00  0.135054D+00
     19 -0.550254D-02  0.398707D-02  0.184888D-03  0.572173D-01
     20  0.176248D-02  0.849562D-03 -0.566179D-03 -0.244680D-02  0.856019D-01
     21 -0.159201D-02 -0.183991D-03  0.263743D-03  0.154302D-01 -0.819194D-01
     22 -0.255078D-03  0.744234D-03 -0.726431D-03  0.517176D-03 -0.388113D-03
     23  0.694227D-03 -0.365163D-03  0.136476D-02 -0.104295D-02  0.951075D-03
     24  0.951225D-03 -0.672525D-03  0.172250D-02 -0.782390D-04  0.103491D-02
     25 -0.861133D-04  0.880618D-04 -0.539976D-03 -0.328341D-03  0.232693D-02
     26 -0.197080D-03 -0.238256D-03  0.138920D-03  0.198246D-02 -0.305857D-02
     27  0.489219D-03 -0.882175D-03  0.955924D-03  0.193198D-02 -0.330931D-02
     28 -0.195970D-03 -0.392072D-03  0.557719D-03  0.499259D-03 -0.434125D-03
     29  0.639322D-03  0.826376D-03 -0.494141D-03 -0.105004D-03  0.824768D-03
     30  0.153742D-03  0.389671D-03 -0.879678D-04 -0.596102D-03  0.521071D-03
     31 -0.393622D-03 -0.331712D-04 -0.629271D-03  0.123687D-03  0.801240D-03
     32  0.165229D-02  0.224819D-02  0.447821D-03 -0.124682D-02 -0.193085D-02
     33 -0.341481D-02 -0.221225D-02 -0.768484D-03  0.120746D-02  0.115411D-02
     34 -0.183105D-02  0.131875D-02  0.787720D-03  0.596208D-03 -0.660169D-03
     35  0.150498D-02 -0.298556D-03 -0.758967D-03  0.146664D-02  0.221104D-02
     36 -0.836890D-03  0.102435D-02  0.593428D-03 -0.251422D-05  0.692359D-03
     37 -0.323251D+00 -0.169233D+00  0.200824D-01 -0.124080D-02 -0.179408D-02
     38 -0.139623D+00 -0.129057D+00  0.248246D-01 -0.124766D-02 -0.646333D-03
     39  0.451270D-02  0.186375D-01 -0.290181D-01 -0.366068D-03 -0.229454D-03
               21            22            23            24            25 
     21  0.298577D+00
     22  0.323976D-03  0.306885D+00
     23  0.487868D-03 -0.471483D-01  0.564758D-01
     24  0.124411D-02  0.713182D-01 -0.103569D-01  0.691509D-01
     25  0.181616D-02  0.511726D-03  0.999566D-02 -0.295394D-01  0.487674D-01
     26 -0.310500D-02 -0.247645D-03 -0.245514D-02  0.397720D-02 -0.518837D-02
     27 -0.814158D-03 -0.338819D-03  0.230840D-02 -0.678292D-02  0.643921D-02
     28 -0.291946D-03 -0.144373D-01 -0.259655D-01  0.271808D-02  0.662800D-03
     29 -0.174333D-03  0.326417D-02  0.684052D-02 -0.691045D-03 -0.411826D-02
     30  0.374573D-03 -0.429984D-02 -0.811186D-02 -0.235810D-03  0.163256D-01
     31 -0.143132D-03  0.305628D-03 -0.705004D-03 -0.673338D-03 -0.179508D-04
     32  0.313607D-03  0.105530D-02 -0.871977D-03  0.352570D-03 -0.659915D-04
     33 -0.142553D-03 -0.208353D-03  0.284752D-03  0.522596D-03 -0.652619D-03
     34  0.723583D-03  0.235537D-03 -0.173066D-03  0.106727D-03 -0.183030D-03
     35  0.413390D-03  0.620857D-04  0.272877D-03  0.134698D-03 -0.153149D-03
     36  0.196827D-02  0.347080D-04 -0.167525D-04 -0.651958D-04  0.184370D-04
     37  0.297061D-03 -0.402220D-03  0.626320D-03  0.356395D-03  0.276911D-03
     38 -0.437111D-03 -0.226916D-03  0.272083D-03  0.721012D-04  0.290942D-03
     39  0.178703D-03 -0.283433D-04 -0.437772D-04 -0.310036D-03  0.263345D-03
               26            27            28            29            30 
     26  0.779937D-01
     27 -0.842900D-01  0.307186D+00
     28  0.272286D-02 -0.839832D-05  0.126425D+00
     29 -0.748942D-02  0.641211D-03  0.129389D+00  0.266566D+00
     30  0.264117D-01 -0.842803D-03 -0.121140D-01 -0.164601D-01  0.498584D-01
     31 -0.526466D-03 -0.566611D-03 -0.595904D-04  0.644193D-03  0.307467D-03
     32  0.558889D-05 -0.383319D-03  0.436254D-03  0.212235D-03  0.234325D-03
     33  0.444882D-04 -0.587866D-03  0.116377D-03 -0.184020D-03 -0.934590D-03
     34  0.143295D-03 -0.746069D-04  0.527307D-03 -0.289275D-03 -0.669776D-04
     35  0.289146D-03  0.119197D-03  0.869606D-03 -0.120458D-02 -0.124901D-02
     36  0.171845D-03  0.436044D-03  0.556634D-04  0.480510D-03  0.626395D-03
     37  0.265136D-03  0.230818D-03  0.228469D-03 -0.649386D-03 -0.204225D-03
     38 -0.151714D-03 -0.201427D-03 -0.582308D-04  0.540185D-04 -0.957416D-04
     39 -0.125690D-03 -0.323328D-03  0.102866D-04 -0.147925D-03 -0.209440D-03
               31            32            33            34            35 
     31  0.398035D+00
     32 -0.323111D-01  0.594308D-01
     33 -0.133488D+00  0.321541D-01  0.784434D-01
     34  0.102040D-02  0.214025D-01  0.341339D-01  0.510040D-01
     35  0.186977D-03 -0.219862D-02 -0.359156D-02  0.156565D-01  0.156629D+00
     36 -0.527307D-02 -0.397914D-02 -0.121445D-01 -0.121369D-01  0.187057D+00
     37 -0.616471D-03 -0.123723D-02  0.249213D-02  0.126526D-02 -0.150174D-02
     38 -0.552340D-03 -0.445005D-03 -0.106378D-03 -0.169849D-02  0.131258D-02
     39  0.147066D-02 -0.215268D-02  0.298257D-02 -0.260963D-02  0.160002D-02
               36            37            38            39 
     36  0.328761D+00
     37 -0.633851D-05  0.302918D+00
     38 -0.155470D-02  0.173657D+00  0.176031D+00
     39 -0.229640D-02 -0.293351D-01 -0.395378D-01  0.399326D-01
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.607051D+02  0.216635D+01 -0.236037D+00
      2   0.216635D+01  0.585095D+02 -0.238350D+01
      3  -0.236037D+00 -0.238350D+01  0.478007D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1   0.299572D+01 -0.198688D+01 -0.704300D+01
      2   0.173168D+00 -0.634118D+01 -0.166034D+02
      3  -0.110697D+01  0.110819D+02  0.312222D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.376069D+02  0.289984D+01 -0.303680D+01
      2   0.187846D+02  0.848173D+01  0.330428D+01
      3   0.188223D+02 -0.113816D+02 -0.267482D+00
      4   0.209152D+02 -0.252870D+02 -0.186978D+02
      5  -0.130568D+01 -0.185600D+02 -0.319139D+02
      6  -0.115304D+02  0.354849D+01  0.761645D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    39 ND12= 1 LenFil=    1407:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.667318D+01 -0.240254D+01  0.144783D+01 -0.804044D+00 -0.327342D+01
      2  -0.240254D+01 -0.344876D+01 -0.943774D+00 -0.327342D+01 -0.282947D+01
      3   0.144783D+01 -0.943774D+00 -0.433143D+00 -0.112113D+01  0.928243D+00
                 6             7             8             9            10 
      1  -0.112113D+01  0.350102D+01 -0.141973D+01 -0.335296D+00 -0.369907D+01
      2   0.928243D+00 -0.141973D+01  0.163503D+01  0.213934D+01  0.561295D+00
      3   0.261654D+01 -0.335296D+00  0.213934D+01 -0.554139D+01 -0.877795D+00
                11            12            13            14            15 
      1   0.561295D+00 -0.877795D+00 -0.446502D+00  0.263529D+01  0.143461D+01
      2   0.243440D+01  0.782398D+00  0.263529D+01  0.809945D+00  0.193491D+00
      3   0.782398D+00  0.426579D+00  0.143461D+01  0.193491D+00 -0.293109D+01
                16            17            18            19            20 
      1  -0.255546D+01  0.821297D+00  0.449033D+00  0.383821D+00 -0.194881D+01
      2   0.821297D+00 -0.467503D+00 -0.354035D+01 -0.194881D+01 -0.290504D+01
      3   0.449033D+00 -0.354035D+01  0.569130D+01  0.177735D+01  0.116581D+01
                21            22            23            24            25 
      1   0.177735D+01 -0.463619D+01 -0.334376D+01  0.103412D+01  0.284232D+01
      2   0.116581D+01 -0.334376D+01 -0.154433D+01 -0.211270D+00  0.144523D+01
      3  -0.517898D+00  0.103412D+01 -0.211270D+00 -0.104170D+00 -0.285002D+00
                26            27            28            29            30 
      1   0.144523D+01 -0.285002D+00  0.895922D+01  0.396364D+01 -0.209253D+01
      2  -0.457278D+00  0.676482D+00  0.396364D+01  0.386875D+01 -0.978923D+00
      3   0.676482D+00 -0.742676D+00 -0.209253D+01 -0.978923D+00  0.204696D+01
                31            32            33            34            35 
      1   0.509724D+01  0.368641D+01 -0.662826D+00 -0.206434D+01 -0.549269D+00
      2   0.368641D+01  0.706468D+01 -0.112323D+01 -0.549269D+00 -0.794745D+00
      3  -0.662826D+00 -0.112323D+01  0.196146D+01  0.280939D+01  0.207726D+01
                36            37            38            39            40 
      1   0.280939D+01  0.597978D+01 -0.734880D-01 -0.683282D+00 -0.731616D+00
      2   0.207726D+01 -0.734880D-01 -0.538495D+00  0.381680D+00 -0.103488D+01
      3  -0.231084D+01 -0.683282D+00  0.381680D+00  0.489534D-02  0.187559D+00
                41            42            43            44            45 
      1  -0.103488D+01  0.187559D+00 -0.800077D+00  0.903771D+00  0.526331D-01
      2  -0.239376D+01  0.126999D+01  0.903771D+00  0.345592D+01  0.249137D+01
      3   0.126999D+01  0.219515D+01  0.526331D-01  0.249137D+01  0.244483D+01
                46            47            48            49            50 
      1   0.659268D+01 -0.776847D+00  0.187301D+01  0.246851D+01  0.298661D+01
      2  -0.776847D+00  0.346773D+01 -0.116466D+01  0.298661D+01 -0.358179D+01
      3   0.187301D+01 -0.116466D+01  0.130823D+01 -0.112226D+00  0.810098D+00
                51            52            53            54            55 
      1  -0.112226D+00  0.213769D+00 -0.111911D+01  0.991061D+00  0.326217D-01
      2   0.810098D+00 -0.111911D+01  0.100481D+01 -0.186388D+01  0.377528D+00
      3  -0.611959D+00  0.991061D+00 -0.186388D+01  0.266594D+01 -0.102414D+01
                56            57            58            59            60 
      1   0.377528D+00 -0.102414D+01  0.691610D+00 -0.495828D+00 -0.100103D+00
      2  -0.498576D+00 -0.153091D+00 -0.495828D+00  0.195280D+01 -0.166680D+01
      3  -0.153091D+00 -0.388599D+00 -0.100103D+00 -0.166680D+01  0.231458D+01
                61            62            63            64            65 
      1  -0.125869D+01 -0.186416D+00 -0.344577D+00 -0.952466D+01  0.269317D+01
      2  -0.186416D+00 -0.224123D+01  0.223129D+01  0.269317D+01 -0.196390D+01
      3  -0.344577D+00  0.223129D+01 -0.826705D+01 -0.630127D+00  0.267509D-01
                66            67            68            69            70 
      1  -0.630127D+00  0.123140D+01 -0.129697D+01  0.274845D+00 -0.216797D+01
      2   0.267509D-01 -0.129697D+01  0.154063D+01 -0.305642D+00  0.610249D+00
      3  -0.132874D+01  0.274845D+00 -0.305642D+00  0.296063D-02 -0.114768D+01
                71            72            73            74            75 
      1   0.610249D+00 -0.114768D+01 -0.714041D+00  0.115091D+00  0.840850D+00
      2  -0.969527D+00  0.892530D-01  0.115091D+00  0.454786D+00  0.188336D+00
      3   0.892530D-01 -0.176972D+00  0.840850D+00  0.188336D+00  0.121749D+00
                76            77            78            79            80 
      1  -0.440778D+00  0.328803D+00  0.386815D+00  0.115311D+01 -0.813068D-01
      2   0.328803D+00 -0.516284D+00  0.790429D+00 -0.813068D-01  0.152654D+01
      3   0.386815D+00  0.790429D+00 -0.196825D+01 -0.779433D+00 -0.181034D+00
                81            82            83            84            85 
      1  -0.779433D+00  0.979637D+00  0.139337D+01 -0.124884D+00  0.175892D+01
      2  -0.181034D+00  0.139337D+01  0.303485D+01  0.476449D+00  0.165141D+01
      3   0.820327D+01 -0.124884D+00  0.476449D+00  0.791104D+00  0.837827D-01
                86            87            88            89            90 
      1   0.165141D+01  0.837827D-01 -0.393852D+00  0.285934D+00  0.326679D+00
      2   0.742565D+01  0.373470D+00  0.285934D+00 -0.379841D+00  0.770278D+00
      3   0.373470D+00  0.891769D+00  0.326679D+00  0.770278D+00  0.493843D+00
                91            92            93            94            95 
      1  -0.971443D+01 -0.181400D+01  0.110824D+01 -0.203955D+00 -0.695017D+00
      2  -0.181400D+01 -0.183360D+01 -0.202873D+00 -0.695017D+00 -0.266875D+00
      3   0.110824D+01 -0.202873D+00 -0.127520D+01 -0.310582D+00  0.179716D+00
                96            97            98            99           100 
      1  -0.310582D+00  0.273377D+01  0.645188D-01 -0.977507D+00 -0.600779D+00
      2   0.179716D+00  0.645188D-01  0.612768D+00 -0.377422D+00 -0.848548D+00
      3  -0.878650D-01 -0.977507D+00 -0.377422D+00  0.606665D+00 -0.620523D+00
               101           102           103           104           105 
      1  -0.848548D+00 -0.620523D+00 -0.105975D+01 -0.896763D+00 -0.749455D+00
      2  -0.194005D+00 -0.365750D+00 -0.896763D+00 -0.395293D+01 -0.232984D+01
      3  -0.365750D+00  0.110742D+00 -0.749455D+00 -0.232984D+01 -0.297849D+01
               106           107           108           109           110 
      1  -0.127272D+01 -0.935103D+00 -0.804838D+00 -0.534796D+01 -0.123987D+01
      2  -0.935103D+00 -0.385147D+01 -0.359844D+01 -0.123987D+01 -0.187816D+01
      3  -0.804838D+00 -0.359844D+01 -0.447184D+01 -0.994016D+00  0.787650D+00
               111           112           113           114           115 
      1  -0.994016D+00 -0.292485D+01 -0.251883D+00 -0.345408D+00  0.691114D-01
      2   0.787650D+00 -0.251883D+00 -0.370828D+01  0.109134D+01  0.159933D+00
      3  -0.866687D+00 -0.345408D+00  0.109134D+01 -0.130063D+01  0.455399D-01
               116           117 
      1   0.159933D+00  0.455399D-01
      2   0.926532D+00 -0.914159D+00
      3  -0.914159D+00  0.140491D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.385237D+01 -0.109270D+01  0.705694D-01  0.576368D+00 -0.491190D+01
      2  -0.529684D+01  0.354778D+01  0.220258D+01  0.355151D+01  0.490107D+00
      3   0.419892D+01 -0.102246D+02  0.986590D+00 -0.431113D+01 -0.111107D+02
                 6             7             8             9            10 
      1  -0.659808D+01 -0.230512D+00 -0.313948D+00  0.915025D+01  0.379739D+00
      2  -0.309186D+01 -0.235391D+01 -0.242304D+01  0.745808D+01 -0.391526D+01
      3  -0.834454D+00  0.157446D+01 -0.107610D-02  0.333956D+01 -0.226267D+01
                11            12            13            14            15 
      1  -0.687078D+00  0.160683D+01  0.917819D+00 -0.232941D+01  0.220272D+01
      2   0.189892D+01  0.283005D+01 -0.133329D+01  0.137784D+01  0.971677D+00
      3  -0.239442D+01 -0.233450D+01  0.272097D+01  0.473404D+01 -0.194918D+01
                16            17            18            19            20 
      1  -0.332262D+00  0.517781D+01 -0.122187D+01  0.222767D+01  0.335519D+00
      2  -0.553513D+01  0.226793D+01 -0.175530D+01  0.391138D+01 -0.303564D+01
      3  -0.926539D+00 -0.384483D+00 -0.159923D+01 -0.292469D+01  0.593302D+01
                21            22            23            24            25 
      1   0.272472D+01 -0.255185D+01  0.815044D+01  0.360372D+01 -0.310195D+01
      2  -0.662727D+01 -0.661462D+01  0.801176D+00 -0.281100D+01 -0.134991D+02
      3   0.111127D+01  0.796509D+01  0.514385D+01  0.157100D+01  0.487026D+01
                26            27            28            29            30 
      1   0.738171D+01 -0.790504D+01 -0.771183D+00 -0.229177D+01 -0.497100D+01
      2   0.158417D+01 -0.143969D+01  0.137154D+01 -0.607344D-01  0.935562D+01
      3   0.143618D+00  0.113522D+01  0.222395D+01 -0.115415D+02  0.109864D+01
                31            32            33            34            35 
      1   0.615679D+00 -0.333279D+01 -0.646115D+01  0.149451D+01  0.264836D+01
      2   0.409667D+01 -0.158538D+01  0.455357D+01  0.174905D+01  0.154260D+01
      3   0.221429D+01 -0.110159D+02  0.640409D+00 -0.165885D+01  0.965125D+00
                36            37            38            39            40 
      1   0.214953D+01 -0.232626D+01  0.187375D+01 -0.471011D+00  0.164302D+01
      2  -0.211158D+01  0.136608D+01 -0.113994D+01  0.295521D+01 -0.835098D+00
      3  -0.341499D+01 -0.119782D+02 -0.662732D+01  0.220856D+01  0.502584D+01
                41            42            43            44            45 
      1   0.530955D+01 -0.198677D+01  0.163893D+01  0.857922D+01  0.572613D+01
      2  -0.290991D+01 -0.261368D+01 -0.404879D+01 -0.394096D+01 -0.281888D+01
      3  -0.141790D+01  0.149028D+01  0.360682D+01  0.176033D+01  0.316162D+01
                46            47            48            49            50 
      1   0.310643D+01  0.272696D+01  0.338309D+01  0.341755D+01 -0.993057D+00
      2  -0.692513D+01 -0.271593D+01  0.505308D+01 -0.109511D+01 -0.178473D+00
      3  -0.144289D+02 -0.108757D+02 -0.929466D+00 -0.563648D+01  0.294695D-03
                51            52            53            54            55 
      1  -0.396153D+01  0.245672D+01  0.131258D+01  0.356456D+01  0.203532D+00
      2  -0.816682D+00  0.138590D+01 -0.263630D+01  0.374975D+01  0.535065D+00
      3  -0.212147D+01 -0.211119D+01  0.108713D+00  0.137513D+01  0.132476D+01
                56            57            58            59            60 
      1   0.154483D+00  0.243473D+00 -0.290168D+00 -0.739766D+00 -0.140457D+01
      2  -0.141400D+00  0.497962D+00  0.968210D+00  0.562292D+00 -0.131233D+01
      3  -0.112513D+01  0.128854D+00  0.145984D+01  0.367977D+00 -0.668657D+00
                61            62            63            64            65 
      1   0.775069D+00  0.230665D+01  0.361987D+01  0.126643D+01 -0.454817D+00
      2  -0.274913D+01 -0.158205D+01  0.402092D+01  0.465394D+01 -0.922320D+00
      3  -0.149412D+01 -0.136777D+01  0.396661D+00 -0.877830D+01 -0.276676D+01
                66            67            68            69            70 
      1   0.257775D+01 -0.792864D+00  0.860292D+00 -0.832003D+00  0.149822D+01
      2   0.512718D+01 -0.126444D+01  0.562865D+00 -0.432406D+00  0.115040D+01
      3  -0.133976D+01  0.160422D+01  0.865014D+00 -0.162845D+00 -0.124700D+01
                71            72            73            74            75 
      1   0.518403D+00  0.331289D+00 -0.113702D+01  0.366676D+00  0.157546D+00
      2   0.703512D-02  0.113486D+01 -0.740469D+00 -0.160032D+00  0.122438D+00
      3  -0.134182D+01 -0.157463D+01 -0.844254D+00  0.111154D+00  0.108083D+01
                76            77            78            79            80 
      1   0.110669D+00 -0.231389D+01  0.206361D+01  0.621769D+00  0.430971D+01
      2   0.238200D+00 -0.119261D+01  0.250142D+01 -0.241052D+01  0.813742D+00
      3   0.617791D+00 -0.104794D+00  0.148506D+01  0.137900D+01  0.205313D+01
                81            82            83            84            85 
      1  -0.113381D+02  0.156749D+01  0.946108D+00 -0.194445D+01  0.912014D+00
      2  -0.106398D+02 -0.647997D+00 -0.110463D+01 -0.111971D-01 -0.111960D+01
      3  -0.154693D+01  0.544380D+01  0.500146D+01 -0.275598D+00  0.740709D+01
                86            87            88            89            90 
      1   0.343022D+01 -0.314911D+01 -0.721776D+00  0.873221D-01 -0.254875D+00
      2  -0.187203D+01 -0.615911D+00 -0.110412D+01 -0.674084D+00 -0.779840D+00
      3   0.120727D+02  0.559610D+00 -0.908398D+00  0.274114D+00  0.164426D+01
                91            92            93            94            95 
      1   0.346406D+01  0.324365D+00 -0.188902D+01 -0.294909D+00  0.736042D+00
      2  -0.221973D+01 -0.408524D+00  0.418985D+01  0.222671D+00 -0.688579D+00
      3   0.116235D+02 -0.284732D+01 -0.183934D+01 -0.430901D+00  0.118252D+01
                96            97            98            99           100 
      1  -0.200920D+00 -0.129233D+01 -0.188004D+00  0.794085D+00 -0.218924D+00
      2  -0.207760D+00  0.774779D+00  0.486792D+00 -0.152751D+01  0.386567D+00
      3   0.112796D+01 -0.465473D+01  0.177271D+01  0.478080D+00  0.187960D+00
               101           102           103           104           105 
      1  -0.992950D-01  0.171219D+00 -0.140943D+01 -0.241345D+01 -0.508214D+01
      2   0.333162D+00 -0.301366D-01  0.500371D+00  0.295624D+01  0.424055D+01
      3   0.141001D+00 -0.145916D+00  0.167517D+01 -0.387527D+01 -0.167902D+01
               106           107           108           109           110 
      1  -0.143850D+01 -0.307184D+01 -0.687835D+01 -0.390958D+01 -0.210220D+01
      2  -0.853418D+00  0.457132D+01  0.570380D+01  0.740271D+01  0.271771D+01
      3   0.127534D+01 -0.393212D+01 -0.368258D+01  0.151312D+02  0.796108D+01
               111           112           113           114           115 
      1  -0.165972D+01 -0.273575D+01 -0.260715D+00 -0.209438D+01 -0.284888D+00
      2  -0.176474D+01  0.268453D+01  0.167645D+01 -0.365580D+00 -0.285842D+01
      3   0.144159D+01  0.100407D+02  0.424189D+01  0.423789D+00  0.294953D+00
               116           117 
      1   0.506997D+00  0.107078D+01
      2  -0.110082D+01 -0.877309D+00
      3  -0.504711D-01  0.287838D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.269815D+02  0.167607D+02 -0.360718D+01  0.153197D+02  0.110516D+02
      2   0.556243D+01 -0.156964D+02  0.594773D+00 -0.138680D+02 -0.159453D+02
      3   0.214191D+02 -0.106429D+01  0.301241D+01 -0.145168D+01  0.489369D+01
      4   0.215389D+02 -0.162026D+01  0.608253D+01  0.368824D+01 -0.425571D+01
      5  -0.294857D+01  0.135836D+01  0.196384D+01  0.215747D+01 -0.512478D+01
      6   0.408484D+01 -0.377097D+01 -0.967351D+00 -0.467930D+01  0.289841D+01
                 6             7             8             9            10 
      1  -0.219276D+01 -0.677264D+01 -0.105331D+01  0.329538D+01  0.922438D+01
      2  -0.189473D+01 -0.974038D-02  0.680491D+00  0.137372D+02 -0.429284D+01
      3   0.408750D+01  0.678238D+01  0.372817D+00 -0.170326D+02 -0.493154D+01
      4  -0.427842D+01  0.102636D+02 -0.678126D+01 -0.798452D+01 -0.660509D+00
      5  -0.623401D+01  0.260305D+01 -0.638353D+01  0.127038D+02 -0.679329D+00
      6   0.753541D+01 -0.289840D+01  0.584479D+01 -0.555494D+01 -0.818985D+00
                11            12            13            14            15 
      1   0.256361D+01 -0.357346D+01 -0.632746D+01  0.348947D+01 -0.561463D+01
      2  -0.373561D+01  0.217584D+01  0.355093D+01 -0.257895D+01 -0.148505D+01
      3   0.117201D+01  0.139763D+01  0.277653D+01 -0.910526D+00  0.709968D+01
      4  -0.175648D+01 -0.317287D+01 -0.119784D+02 -0.109084D+01  0.406738D+00
      5  -0.165163D+01  0.874686D-01 -0.504273D+01  0.226926D+00  0.181299D+01
      6   0.317704D+01 -0.276639D+01 -0.145221D+00  0.181590D+00 -0.116154D+02
                16            17            18            19            20 
      1   0.333289D+01 -0.304429D+01  0.838793D+01 -0.172284D+02 -0.318281D+01
      2   0.141013D+01 -0.606425D+01  0.562441D+01  0.828653D+01 -0.102327D+01
      3  -0.474301D+01  0.910854D+01 -0.140123D+02  0.894188D+01  0.420608D+01
      4  -0.410065D+01  0.586263D+01  0.825484D+01 -0.167442D+02 -0.183811D+02
      5  -0.784666D+00  0.583996D+01 -0.813886D+01  0.673438D+01  0.487745D+01
      6   0.347860D+01 -0.322680D+01  0.885730D+01 -0.687729D+00 -0.827132D-01
                21            22            23            24            25 
      1   0.332721D+01 -0.163883D+02 -0.195431D+01 -0.117878D+01  0.475631D+01
      2  -0.234397D+01  0.110200D+02 -0.700001D+01 -0.632659D+01 -0.272479D+01
      3  -0.983246D+00  0.536829D+01  0.895432D+01  0.750537D+01 -0.203153D+01
      4   0.466508D+01 -0.167827D+02 -0.591985D+01 -0.157432D+01  0.863309D+01
      5  -0.119111D+02  0.941757D+01 -0.606721D+00 -0.531782D+01 -0.213894D+01
      6  -0.271533D+01 -0.611450D+00  0.505943D+01 -0.629213D+01  0.110803D+01
                26            27            28            29            30 
      1  -0.161402D+01 -0.544824D+01  0.401479D+02  0.969088D+01 -0.417461D+01
      2   0.662588D+01 -0.595364D+00 -0.207241D+02  0.264917D+00  0.550677D+01
      3  -0.501186D+01  0.604360D+01 -0.194238D+02 -0.995579D+01 -0.133216D+01
      4  -0.457753D+01 -0.184869D+01  0.266122D+02  0.249570D+02 -0.436413D+01
      5   0.158438D+00 -0.653450D+00 -0.117559D+02 -0.466932D+01  0.176264D+02
      6   0.429099D+01  0.610997D+01 -0.948523D+00 -0.120587D+01  0.572367D+01
                31            32            33            34            35 
      1   0.148688D+02  0.222987D+01  0.470435D+00 -0.499577D+01  0.850248D+00
      2  -0.419014D+01  0.111618D+02  0.181086D+01  0.422642D+01 -0.351676D+00
      3  -0.106787D+02 -0.133917D+02 -0.228130D+01  0.769341D+00 -0.498572D+00
      4   0.278731D+02  0.272690D+02 -0.423539D+01 -0.432423D+01 -0.297171D+01
      5  -0.498694D+01 -0.485363D+01  0.963377D+01  0.165450D+02  0.791139D+01
      6  -0.261640D+01 -0.231767D+01  0.915882D+01  0.440380D+01  0.707968D+01
                36            37            38            39            40 
      1   0.304230D+01 -0.193782D+02 -0.521848D+01  0.762353D+01  0.997902D+00
      2  -0.697675D+01  0.112352D+02  0.549520D+01 -0.605310D+01  0.195052D+01
      3   0.393445D+01  0.814293D+01 -0.276724D+00 -0.157043D+01 -0.294843D+01
      4   0.860898D+01 -0.103219D+02  0.529504D+01 -0.371187D+00  0.109043D+02
      5  -0.940892D+01  0.466941D+01 -0.224834D+01  0.476719D+01 -0.177490D+01
      6  -0.376998D+01  0.215595D+01 -0.278851D+01  0.127686D+01 -0.117500D+01
                41            42            43            44            45 
      1  -0.373629D+01  0.380374D+01  0.779842D+01  0.308872D+01  0.327659D+01
      2   0.128868D+02 -0.260413D+01 -0.755161D+01 -0.236368D+01 -0.603370D+01
      3  -0.915052D+01 -0.119960D+01 -0.246815D+00 -0.725039D+00  0.275711D+01
      4   0.822767D+01 -0.365635D+01 -0.155307D+01 -0.977881D+01 -0.609706D+01
      5  -0.420235D+01 -0.488286D+01  0.292107D+01 -0.739208D+01 -0.571118D+01
      6  -0.946327D+01 -0.978160D-02 -0.206004D+01 -0.662285D+01 -0.120213D+02
                46            47            48            49            50 
      1   0.137185D+02  0.860617D+00 -0.790841D+00  0.378207D+01 -0.609907D+01
      2  -0.755390D+01 -0.543753D+01 -0.208943D+01 -0.680275D+01  0.144306D+02
      3  -0.616455D+01  0.457691D+01  0.288028D+01  0.302067D+01 -0.833150D+01
      4  -0.179066D+02  0.161488D+02 -0.597300D+01  0.104437D+02 -0.154769D+02
      5   0.489587D+01 -0.426952D+01  0.109605D+02 -0.271561D+01  0.434984D+01
      6  -0.347848D+01  0.329649D+01 -0.541699D+01  0.123671D+01 -0.495556D+01
                51            52            53            54            55 
      1   0.294794D+01 -0.180488D+01  0.396306D+01 -0.464747D+01 -0.106261D+00
      2   0.378507D+00  0.372293D-01 -0.279492D+01 -0.463366D+01 -0.253932D+01
      3  -0.332645D+01  0.176765D+01 -0.116815D+01  0.928113D+01  0.264558D+01
      4   0.305637D+01 -0.309868D+01  0.448477D+01 -0.693907D+01 -0.966089D+00
      5  -0.272681D+01  0.968995D+01 -0.594022D+01  0.952700D+01  0.167449D+01
      6   0.103484D+02 -0.340822D+01  0.895570D+01 -0.758701D+01 -0.214120D+01
                56            57            58            59            60 
      1  -0.731836D+00  0.213843D+01  0.117627D+01 -0.592857D+01  0.525976D+01
      2   0.526057D+00 -0.104333D+01 -0.441021D+00  0.108252D+01  0.453506D+00
      3   0.205780D+00 -0.109510D+01 -0.735250D+00  0.484606D+01 -0.571327D+01
      4   0.296468D+01 -0.121825D+01  0.342182D+01 -0.387944D+01  0.252212D+01
      5  -0.147845D+01  0.652346D+01 -0.857221D+00  0.230201D+01 -0.344037D+01
      6  -0.518740D+00  0.195152D+00  0.536059D+00 -0.638272D+01  0.102539D+02
                61            62            63            64            65 
      1  -0.139849D+00  0.552629D+01 -0.176658D+02  0.442504D+02 -0.873125D+01
      2  -0.919370D+00  0.246039D+01 -0.139621D+02 -0.165562D+02 -0.575589D+00
      3   0.105922D+01 -0.798668D+01  0.316279D+02 -0.276942D+02  0.930684D+01
      4  -0.863303D+00  0.354704D+01 -0.388079D+01 -0.314921D+02  0.165047D+02
      5   0.510851D+01 -0.287624D+01  0.113804D+02 -0.945658D+00  0.767069D+00
      6  -0.138488D+01  0.825150D+01 -0.137498D+02 -0.171039D+01 -0.360450D+00
                66            67            68            69            70 
      1   0.431406D+01 -0.378105D+01  0.288817D+01 -0.277006D+00  0.795838D+01
      2  -0.977538D+00 -0.188669D+01  0.371006D+01 -0.173432D+00 -0.254226D+01
      3  -0.333653D+01  0.566774D+01 -0.659823D+01  0.450438D+00 -0.541612D+01
      4  -0.214973D+01  0.122374D+02 -0.828798D+01  0.171130D+01 -0.615101D+01
      5   0.733111D+01 -0.570038D-01  0.858566D+00 -0.484120D+00  0.719989D+01
      6  -0.433669D+01  0.592913D+00 -0.184715D+00  0.135351D+01 -0.376397D+01
                71            72            73            74            75 
      1  -0.291830D+00  0.406923D+01  0.292704D+01 -0.180998D+01 -0.271956D+01
      2  -0.152026D+01 -0.385408D+01 -0.330561D+01  0.159601D+01  0.180406D+01
      3   0.181209D+01 -0.215151D+00  0.378563D+00  0.213972D+00  0.915501D+00
      4   0.467085D+01 -0.323280D+01 -0.235376D+01  0.807211D+00  0.734393D+00
      5  -0.132772D+01  0.211976D+01 -0.217529D+01 -0.578149D+00  0.513837D+01
      6   0.165760D+01 -0.125344D+01  0.645726D+00  0.844005D+00  0.134459D+00
                76            77            78            79            80 
      1  -0.189718D+00 -0.251134D+01  0.643920D+00 -0.255048D+01 -0.127689D+01
      2   0.212458D+00 -0.845809D-01  0.512405D+01  0.307563D+01  0.446029D+01
      3  -0.227402D-01  0.259592D+01 -0.576797D+01 -0.525144D+00 -0.318340D+01
      4   0.105398D+00  0.237781D+01 -0.203678D+01  0.206000D+01 -0.396275D+01
      5  -0.231275D+01 -0.169109D+01  0.469177D+01  0.683979D+01  0.722099D+00
      6   0.222306D+00 -0.941410D+00  0.214262D+01 -0.115772D+01  0.430062D+01
                81            82            83            84            85 
      1  -0.124951D+02 -0.232616D+01 -0.102175D+02 -0.718448D+00 -0.862556D+01
      2  -0.180221D+02  0.605401D+01  0.144942D+02  0.203964D+00  0.992580D+01
      3   0.305171D+02 -0.372785D+01 -0.427669D+01  0.514484D+00 -0.130024D+01
      4   0.135695D+01  0.237433D+01  0.249927D+01 -0.871907D+00  0.493937D+01
      5  -0.201416D+02  0.176679D+01  0.105447D+01 -0.383605D+00  0.177452D+01
      6   0.129904D+02  0.293020D+00  0.265118D+01  0.317956D+01  0.159457D+01
                86            87            88            89            90 
      1  -0.238699D+02 -0.152379D+01  0.444244D+00  0.127890D-01 -0.405158D+01
      2   0.389448D+02  0.833935D+00 -0.517644D-01 -0.129851D+01  0.247052D+01
      3  -0.150749D+02  0.689858D+00 -0.392480D+00  0.128572D+01  0.158106D+01
      4  -0.604504D+01 -0.482863D-01 -0.160241D+01  0.104809D+01  0.648826D+00
      5   0.188121D+01 -0.112386D+01  0.762012D+00 -0.246203D+00 -0.107552D+01
      6   0.554683D+01  0.586258D+01  0.215734D+01  0.607321D+01  0.673541D+00
                91            92            93            94            95 
      1   0.416454D+02  0.476971D+01 -0.626168D+01 -0.104209D+01  0.204648D+01
      2  -0.210209D+02 -0.437060D+00  0.305539D+01  0.188395D+01  0.459709D-02
      3  -0.206244D+02 -0.433265D+01  0.320629D+01 -0.841866D+00 -0.205107D+01
      4   0.194961D+02  0.946549D+01 -0.158493D+01  0.556459D+01  0.147207D+01
      5  -0.283354D+01  0.577273D+00  0.593420D+01  0.150844D+01 -0.734884D+00
      6  -0.225820D+01  0.906259D+00  0.300877D+01  0.496527D+00 -0.182095D+00
                96            97            98            99           100 
      1   0.134271D+01 -0.997616D+01 -0.943540D-01  0.382399D+01  0.169279D+01
      2  -0.970837D+00  0.637018D+01 -0.451903D+00 -0.290045D+01 -0.792071D+00
      3  -0.371871D+00  0.360598D+01  0.546257D+00 -0.923536D+00 -0.900718D+00
      4  -0.398709D+00 -0.456321D+01 -0.111896D+01  0.195695D+01  0.382634D+01
      5  -0.760125D-01  0.595696D+01  0.137465D+01 -0.243289D+01  0.257065D+01
      6   0.139934D+01  0.162552D+01  0.212493D+01 -0.125193D+01  0.258588D+01
               101           102           103           104           105 
      1   0.195636D+01  0.183845D+01  0.161673D+01 -0.753912D+01 -0.507589D+01
      2  -0.644125D+00 -0.423197D+00 -0.200299D+00  0.923815D+01  0.456740D+01
      3  -0.131223D+01 -0.141525D+01 -0.141643D+01 -0.169902D+01  0.508493D+00
      4   0.463319D+01  0.340498D+01  0.583259D+01  0.106370D+02  0.701689D+01
      5   0.306371D+01  0.337772D+01  0.343110D+01  0.755696D+01  0.890928D+01
      6   0.756393D+00  0.381487D+00  0.388039D+01  0.133092D+02  0.134107D+02
               106           107           108           109           110 
      1   0.187081D+01 -0.727424D+01 -0.984722D+01 -0.664569D+01 -0.382156D+01
      2  -0.923290D+00  0.421362D+01  0.178402D+01  0.517676D+01  0.372900D+01
      3  -0.947520D+00  0.306062D+01  0.806319D+01  0.146893D+01  0.925651D-01
      4   0.510025D+01  0.104320D+02  0.902130D+01  0.876369D+01 -0.300804D+01
      5   0.534486D+01  0.106226D+02  0.128948D+02 -0.120934D+01  0.813592D+00
      6   0.366386D+01  0.158102D+02  0.179730D+02  0.227810D+01 -0.290412D+01
               111           112           113           114           115 
      1   0.228938D+01 -0.285155D+01 -0.907332D+01  0.298335D+01  0.236080D+00
      2  -0.252871D+00  0.173368D+01  0.121621D+02 -0.289149D+01 -0.239409D+00
      3  -0.203651D+01  0.111787D+01 -0.308881D+01 -0.918679D-01  0.332826D-02
      4   0.243552D+01  0.445557D+01 -0.286146D+01  0.127880D+01  0.199617D+00
      5  -0.361481D+01 -0.541961D+00  0.379483D-01 -0.761948D+00  0.657575D+00
      6   0.230280D+01  0.431871D+00 -0.495148D+01  0.425281D+01  0.402430D+00
               116           117 
      1   0.279681D+01 -0.360719D+01
      2  -0.200648D+01  0.149485D+01
      3  -0.790334D+00  0.211233D+01
      4  -0.854403D+00  0.135066D+00
      5  -0.296740D+00 -0.129946D+01
      6   0.396993D+01 -0.379930D+01
 Leave Link  716 at Thu Aug 12 17:29:41 2021, MaxMem=  6442450944 cpu:               1.3 elap:               1.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.607051D+02  0.216635D+01 -0.236037D+00
      2   0.216635D+01  0.585095D+02 -0.238350D+01
      3  -0.236037D+00 -0.238350D+01  0.478007D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1   0.299572D+01 -0.198688D+01 -0.704300D+01
      2   0.173168D+00 -0.634118D+01 -0.166034D+02
      3  -0.110697D+01  0.110819D+02  0.312222D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.376069D+02  0.289984D+01 -0.303680D+01
      2   0.187846D+02  0.848173D+01  0.330428D+01
      3   0.188223D+02 -0.113816D+02 -0.267482D+00
      4   0.209152D+02 -0.252870D+02 -0.186978D+02
      5  -0.130568D+01 -0.185600D+02 -0.319139D+02
      6  -0.115304D+02  0.354849D+01  0.761645D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    39 ND12= 1 LenFil=    1407:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.667318D+01 -0.240254D+01  0.144783D+01 -0.804044D+00 -0.327342D+01
      2  -0.240254D+01 -0.344876D+01 -0.943774D+00 -0.327342D+01 -0.282947D+01
      3   0.144783D+01 -0.943774D+00 -0.433143D+00 -0.112113D+01  0.928243D+00
                 6             7             8             9            10 
      1  -0.112113D+01  0.350102D+01 -0.141973D+01 -0.335296D+00 -0.369907D+01
      2   0.928243D+00 -0.141973D+01  0.163503D+01  0.213934D+01  0.561295D+00
      3   0.261654D+01 -0.335296D+00  0.213934D+01 -0.554139D+01 -0.877795D+00
                11            12            13            14            15 
      1   0.561295D+00 -0.877795D+00 -0.446502D+00  0.263529D+01  0.143461D+01
      2   0.243440D+01  0.782398D+00  0.263529D+01  0.809945D+00  0.193491D+00
      3   0.782398D+00  0.426579D+00  0.143461D+01  0.193491D+00 -0.293109D+01
                16            17            18            19            20 
      1  -0.255546D+01  0.821297D+00  0.449033D+00  0.383821D+00 -0.194881D+01
      2   0.821297D+00 -0.467503D+00 -0.354035D+01 -0.194881D+01 -0.290504D+01
      3   0.449033D+00 -0.354035D+01  0.569130D+01  0.177735D+01  0.116581D+01
                21            22            23            24            25 
      1   0.177735D+01 -0.463619D+01 -0.334376D+01  0.103412D+01  0.284232D+01
      2   0.116581D+01 -0.334376D+01 -0.154433D+01 -0.211270D+00  0.144523D+01
      3  -0.517898D+00  0.103412D+01 -0.211270D+00 -0.104170D+00 -0.285002D+00
                26            27            28            29            30 
      1   0.144523D+01 -0.285002D+00  0.895922D+01  0.396364D+01 -0.209253D+01
      2  -0.457278D+00  0.676482D+00  0.396364D+01  0.386875D+01 -0.978923D+00
      3   0.676482D+00 -0.742676D+00 -0.209253D+01 -0.978923D+00  0.204696D+01
                31            32            33            34            35 
      1   0.509724D+01  0.368641D+01 -0.662826D+00 -0.206434D+01 -0.549269D+00
      2   0.368641D+01  0.706468D+01 -0.112323D+01 -0.549269D+00 -0.794745D+00
      3  -0.662826D+00 -0.112323D+01  0.196146D+01  0.280939D+01  0.207726D+01
                36            37            38            39            40 
      1   0.280939D+01  0.597978D+01 -0.734880D-01 -0.683282D+00 -0.731616D+00
      2   0.207726D+01 -0.734880D-01 -0.538495D+00  0.381680D+00 -0.103488D+01
      3  -0.231084D+01 -0.683282D+00  0.381680D+00  0.489534D-02  0.187559D+00
                41            42            43            44            45 
      1  -0.103488D+01  0.187559D+00 -0.800077D+00  0.903771D+00  0.526331D-01
      2  -0.239376D+01  0.126999D+01  0.903771D+00  0.345592D+01  0.249137D+01
      3   0.126999D+01  0.219515D+01  0.526331D-01  0.249137D+01  0.244483D+01
                46            47            48            49            50 
      1   0.659268D+01 -0.776847D+00  0.187301D+01  0.246851D+01  0.298661D+01
      2  -0.776847D+00  0.346773D+01 -0.116466D+01  0.298661D+01 -0.358179D+01
      3   0.187301D+01 -0.116466D+01  0.130823D+01 -0.112226D+00  0.810098D+00
                51            52            53            54            55 
      1  -0.112226D+00  0.213769D+00 -0.111911D+01  0.991061D+00  0.326217D-01
      2   0.810098D+00 -0.111911D+01  0.100481D+01 -0.186388D+01  0.377528D+00
      3  -0.611959D+00  0.991061D+00 -0.186388D+01  0.266594D+01 -0.102414D+01
                56            57            58            59            60 
      1   0.377528D+00 -0.102414D+01  0.691610D+00 -0.495828D+00 -0.100103D+00
      2  -0.498576D+00 -0.153091D+00 -0.495828D+00  0.195280D+01 -0.166680D+01
      3  -0.153091D+00 -0.388599D+00 -0.100103D+00 -0.166680D+01  0.231458D+01
                61            62            63            64            65 
      1  -0.125869D+01 -0.186416D+00 -0.344577D+00 -0.952466D+01  0.269317D+01
      2  -0.186416D+00 -0.224123D+01  0.223129D+01  0.269317D+01 -0.196390D+01
      3  -0.344577D+00  0.223129D+01 -0.826705D+01 -0.630127D+00  0.267509D-01
                66            67            68            69            70 
      1  -0.630127D+00  0.123140D+01 -0.129697D+01  0.274845D+00 -0.216797D+01
      2   0.267509D-01 -0.129697D+01  0.154063D+01 -0.305642D+00  0.610249D+00
      3  -0.132874D+01  0.274845D+00 -0.305642D+00  0.296063D-02 -0.114768D+01
                71            72            73            74            75 
      1   0.610249D+00 -0.114768D+01 -0.714041D+00  0.115091D+00  0.840850D+00
      2  -0.969527D+00  0.892530D-01  0.115091D+00  0.454786D+00  0.188336D+00
      3   0.892530D-01 -0.176972D+00  0.840850D+00  0.188336D+00  0.121749D+00
                76            77            78            79            80 
      1  -0.440778D+00  0.328803D+00  0.386815D+00  0.115311D+01 -0.813068D-01
      2   0.328803D+00 -0.516284D+00  0.790429D+00 -0.813068D-01  0.152654D+01
      3   0.386815D+00  0.790429D+00 -0.196825D+01 -0.779433D+00 -0.181034D+00
                81            82            83            84            85 
      1  -0.779433D+00  0.979637D+00  0.139337D+01 -0.124884D+00  0.175892D+01
      2  -0.181034D+00  0.139337D+01  0.303485D+01  0.476449D+00  0.165141D+01
      3   0.820327D+01 -0.124884D+00  0.476449D+00  0.791104D+00  0.837827D-01
                86            87            88            89            90 
      1   0.165141D+01  0.837827D-01 -0.393852D+00  0.285934D+00  0.326679D+00
      2   0.742565D+01  0.373470D+00  0.285934D+00 -0.379841D+00  0.770278D+00
      3   0.373470D+00  0.891769D+00  0.326679D+00  0.770278D+00  0.493843D+00
                91            92            93            94            95 
      1  -0.971443D+01 -0.181400D+01  0.110824D+01 -0.203955D+00 -0.695017D+00
      2  -0.181400D+01 -0.183360D+01 -0.202873D+00 -0.695017D+00 -0.266875D+00
      3   0.110824D+01 -0.202873D+00 -0.127520D+01 -0.310582D+00  0.179716D+00
                96            97            98            99           100 
      1  -0.310582D+00  0.273377D+01  0.645188D-01 -0.977507D+00 -0.600779D+00
      2   0.179716D+00  0.645188D-01  0.612768D+00 -0.377422D+00 -0.848548D+00
      3  -0.878650D-01 -0.977507D+00 -0.377422D+00  0.606665D+00 -0.620523D+00
               101           102           103           104           105 
      1  -0.848548D+00 -0.620523D+00 -0.105975D+01 -0.896763D+00 -0.749455D+00
      2  -0.194005D+00 -0.365750D+00 -0.896763D+00 -0.395293D+01 -0.232984D+01
      3  -0.365750D+00  0.110742D+00 -0.749455D+00 -0.232984D+01 -0.297849D+01
               106           107           108           109           110 
      1  -0.127272D+01 -0.935103D+00 -0.804838D+00 -0.534796D+01 -0.123987D+01
      2  -0.935103D+00 -0.385147D+01 -0.359844D+01 -0.123987D+01 -0.187816D+01
      3  -0.804838D+00 -0.359844D+01 -0.447184D+01 -0.994016D+00  0.787650D+00
               111           112           113           114           115 
      1  -0.994016D+00 -0.292485D+01 -0.251883D+00 -0.345408D+00  0.691114D-01
      2   0.787650D+00 -0.251883D+00 -0.370828D+01  0.109134D+01  0.159933D+00
      3  -0.866687D+00 -0.345408D+00  0.109134D+01 -0.130063D+01  0.455399D-01
               116           117 
      1   0.159933D+00  0.455399D-01
      2   0.926532D+00 -0.914159D+00
      3  -0.914159D+00  0.140491D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.385237D+01 -0.109270D+01  0.705694D-01  0.576368D+00 -0.491190D+01
      2  -0.529684D+01  0.354778D+01  0.220258D+01  0.355151D+01  0.490107D+00
      3   0.419892D+01 -0.102246D+02  0.986590D+00 -0.431113D+01 -0.111107D+02
                 6             7             8             9            10 
      1  -0.659808D+01 -0.230512D+00 -0.313948D+00  0.915025D+01  0.379739D+00
      2  -0.309186D+01 -0.235391D+01 -0.242304D+01  0.745808D+01 -0.391526D+01
      3  -0.834454D+00  0.157446D+01 -0.107610D-02  0.333956D+01 -0.226267D+01
                11            12            13            14            15 
      1  -0.687078D+00  0.160683D+01  0.917819D+00 -0.232941D+01  0.220272D+01
      2   0.189892D+01  0.283005D+01 -0.133329D+01  0.137784D+01  0.971677D+00
      3  -0.239442D+01 -0.233450D+01  0.272097D+01  0.473404D+01 -0.194918D+01
                16            17            18            19            20 
      1  -0.332262D+00  0.517781D+01 -0.122187D+01  0.222767D+01  0.335519D+00
      2  -0.553513D+01  0.226793D+01 -0.175530D+01  0.391138D+01 -0.303564D+01
      3  -0.926539D+00 -0.384483D+00 -0.159923D+01 -0.292469D+01  0.593302D+01
                21            22            23            24            25 
      1   0.272472D+01 -0.255185D+01  0.815044D+01  0.360372D+01 -0.310195D+01
      2  -0.662727D+01 -0.661462D+01  0.801176D+00 -0.281100D+01 -0.134991D+02
      3   0.111127D+01  0.796509D+01  0.514385D+01  0.157100D+01  0.487026D+01
                26            27            28            29            30 
      1   0.738171D+01 -0.790504D+01 -0.771183D+00 -0.229177D+01 -0.497100D+01
      2   0.158417D+01 -0.143969D+01  0.137154D+01 -0.607344D-01  0.935562D+01
      3   0.143618D+00  0.113522D+01  0.222395D+01 -0.115415D+02  0.109864D+01
                31            32            33            34            35 
      1   0.615679D+00 -0.333279D+01 -0.646115D+01  0.149451D+01  0.264836D+01
      2   0.409667D+01 -0.158538D+01  0.455357D+01  0.174905D+01  0.154260D+01
      3   0.221429D+01 -0.110159D+02  0.640409D+00 -0.165885D+01  0.965125D+00
                36            37            38            39            40 
      1   0.214953D+01 -0.232626D+01  0.187375D+01 -0.471011D+00  0.164302D+01
      2  -0.211158D+01  0.136608D+01 -0.113994D+01  0.295521D+01 -0.835098D+00
      3  -0.341499D+01 -0.119782D+02 -0.662732D+01  0.220856D+01  0.502584D+01
                41            42            43            44            45 
      1   0.530955D+01 -0.198677D+01  0.163893D+01  0.857922D+01  0.572613D+01
      2  -0.290991D+01 -0.261368D+01 -0.404879D+01 -0.394096D+01 -0.281888D+01
      3  -0.141790D+01  0.149028D+01  0.360682D+01  0.176033D+01  0.316162D+01
                46            47            48            49            50 
      1   0.310643D+01  0.272696D+01  0.338309D+01  0.341755D+01 -0.993057D+00
      2  -0.692513D+01 -0.271593D+01  0.505308D+01 -0.109511D+01 -0.178473D+00
      3  -0.144289D+02 -0.108757D+02 -0.929466D+00 -0.563648D+01  0.294695D-03
                51            52            53            54            55 
      1  -0.396153D+01  0.245672D+01  0.131258D+01  0.356456D+01  0.203532D+00
      2  -0.816682D+00  0.138590D+01 -0.263630D+01  0.374975D+01  0.535065D+00
      3  -0.212147D+01 -0.211119D+01  0.108713D+00  0.137513D+01  0.132476D+01
                56            57            58            59            60 
      1   0.154483D+00  0.243473D+00 -0.290168D+00 -0.739766D+00 -0.140457D+01
      2  -0.141400D+00  0.497962D+00  0.968210D+00  0.562292D+00 -0.131233D+01
      3  -0.112513D+01  0.128854D+00  0.145984D+01  0.367977D+00 -0.668657D+00
                61            62            63            64            65 
      1   0.775069D+00  0.230665D+01  0.361987D+01  0.126643D+01 -0.454817D+00
      2  -0.274913D+01 -0.158205D+01  0.402092D+01  0.465394D+01 -0.922320D+00
      3  -0.149412D+01 -0.136777D+01  0.396661D+00 -0.877830D+01 -0.276676D+01
                66            67            68            69            70 
      1   0.257775D+01 -0.792864D+00  0.860292D+00 -0.832003D+00  0.149822D+01
      2   0.512718D+01 -0.126444D+01  0.562865D+00 -0.432406D+00  0.115040D+01
      3  -0.133976D+01  0.160422D+01  0.865014D+00 -0.162845D+00 -0.124700D+01
                71            72            73            74            75 
      1   0.518403D+00  0.331289D+00 -0.113702D+01  0.366676D+00  0.157546D+00
      2   0.703512D-02  0.113486D+01 -0.740469D+00 -0.160032D+00  0.122438D+00
      3  -0.134182D+01 -0.157463D+01 -0.844254D+00  0.111154D+00  0.108083D+01
                76            77            78            79            80 
      1   0.110669D+00 -0.231389D+01  0.206361D+01  0.621769D+00  0.430971D+01
      2   0.238200D+00 -0.119261D+01  0.250142D+01 -0.241052D+01  0.813742D+00
      3   0.617791D+00 -0.104794D+00  0.148506D+01  0.137900D+01  0.205313D+01
                81            82            83            84            85 
      1  -0.113381D+02  0.156749D+01  0.946108D+00 -0.194445D+01  0.912014D+00
      2  -0.106398D+02 -0.647997D+00 -0.110463D+01 -0.111971D-01 -0.111960D+01
      3  -0.154693D+01  0.544380D+01  0.500146D+01 -0.275598D+00  0.740709D+01
                86            87            88            89            90 
      1   0.343022D+01 -0.314911D+01 -0.721776D+00  0.873221D-01 -0.254875D+00
      2  -0.187203D+01 -0.615911D+00 -0.110412D+01 -0.674084D+00 -0.779840D+00
      3   0.120727D+02  0.559610D+00 -0.908398D+00  0.274114D+00  0.164426D+01
                91            92            93            94            95 
      1   0.346406D+01  0.324365D+00 -0.188902D+01 -0.294909D+00  0.736042D+00
      2  -0.221973D+01 -0.408524D+00  0.418985D+01  0.222671D+00 -0.688579D+00
      3   0.116235D+02 -0.284732D+01 -0.183934D+01 -0.430901D+00  0.118252D+01
                96            97            98            99           100 
      1  -0.200920D+00 -0.129233D+01 -0.188004D+00  0.794085D+00 -0.218924D+00
      2  -0.207760D+00  0.774779D+00  0.486792D+00 -0.152751D+01  0.386567D+00
      3   0.112796D+01 -0.465473D+01  0.177271D+01  0.478080D+00  0.187960D+00
               101           102           103           104           105 
      1  -0.992950D-01  0.171219D+00 -0.140943D+01 -0.241345D+01 -0.508214D+01
      2   0.333162D+00 -0.301366D-01  0.500371D+00  0.295624D+01  0.424055D+01
      3   0.141001D+00 -0.145916D+00  0.167517D+01 -0.387527D+01 -0.167902D+01
               106           107           108           109           110 
      1  -0.143850D+01 -0.307184D+01 -0.687835D+01 -0.390958D+01 -0.210220D+01
      2  -0.853418D+00  0.457132D+01  0.570380D+01  0.740271D+01  0.271771D+01
      3   0.127534D+01 -0.393212D+01 -0.368258D+01  0.151312D+02  0.796108D+01
               111           112           113           114           115 
      1  -0.165972D+01 -0.273575D+01 -0.260715D+00 -0.209438D+01 -0.284888D+00
      2  -0.176474D+01  0.268453D+01  0.167645D+01 -0.365580D+00 -0.285842D+01
      3   0.144159D+01  0.100407D+02  0.424189D+01  0.423789D+00  0.294953D+00
               116           117 
      1   0.506997D+00  0.107078D+01
      2  -0.110082D+01 -0.877309D+00
      3  -0.504711D-01  0.287838D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.269815D+02  0.167607D+02 -0.360718D+01  0.153197D+02  0.110516D+02
      2   0.556243D+01 -0.156964D+02  0.594773D+00 -0.138680D+02 -0.159453D+02
      3   0.214191D+02 -0.106429D+01  0.301241D+01 -0.145168D+01  0.489369D+01
      4   0.215389D+02 -0.162026D+01  0.608253D+01  0.368824D+01 -0.425571D+01
      5  -0.294857D+01  0.135836D+01  0.196384D+01  0.215747D+01 -0.512478D+01
      6   0.408484D+01 -0.377097D+01 -0.967351D+00 -0.467930D+01  0.289841D+01
                 6             7             8             9            10 
      1  -0.219276D+01 -0.677264D+01 -0.105331D+01  0.329538D+01  0.922438D+01
      2  -0.189473D+01 -0.974038D-02  0.680491D+00  0.137372D+02 -0.429284D+01
      3   0.408750D+01  0.678238D+01  0.372817D+00 -0.170326D+02 -0.493154D+01
      4  -0.427842D+01  0.102636D+02 -0.678126D+01 -0.798452D+01 -0.660509D+00
      5  -0.623401D+01  0.260305D+01 -0.638353D+01  0.127038D+02 -0.679329D+00
      6   0.753541D+01 -0.289840D+01  0.584479D+01 -0.555494D+01 -0.818985D+00
                11            12            13            14            15 
      1   0.256361D+01 -0.357346D+01 -0.632746D+01  0.348947D+01 -0.561463D+01
      2  -0.373561D+01  0.217584D+01  0.355093D+01 -0.257895D+01 -0.148505D+01
      3   0.117201D+01  0.139763D+01  0.277653D+01 -0.910526D+00  0.709968D+01
      4  -0.175648D+01 -0.317287D+01 -0.119784D+02 -0.109084D+01  0.406738D+00
      5  -0.165163D+01  0.874686D-01 -0.504273D+01  0.226926D+00  0.181299D+01
      6   0.317704D+01 -0.276639D+01 -0.145221D+00  0.181590D+00 -0.116154D+02
                16            17            18            19            20 
      1   0.333289D+01 -0.304429D+01  0.838793D+01 -0.172284D+02 -0.318281D+01
      2   0.141013D+01 -0.606425D+01  0.562441D+01  0.828653D+01 -0.102327D+01
      3  -0.474301D+01  0.910854D+01 -0.140123D+02  0.894188D+01  0.420608D+01
      4  -0.410065D+01  0.586263D+01  0.825484D+01 -0.167442D+02 -0.183811D+02
      5  -0.784666D+00  0.583996D+01 -0.813886D+01  0.673438D+01  0.487745D+01
      6   0.347860D+01 -0.322680D+01  0.885730D+01 -0.687729D+00 -0.827132D-01
                21            22            23            24            25 
      1   0.332721D+01 -0.163883D+02 -0.195431D+01 -0.117878D+01  0.475631D+01
      2  -0.234397D+01  0.110200D+02 -0.700001D+01 -0.632659D+01 -0.272479D+01
      3  -0.983246D+00  0.536829D+01  0.895432D+01  0.750537D+01 -0.203153D+01
      4   0.466508D+01 -0.167827D+02 -0.591985D+01 -0.157432D+01  0.863309D+01
      5  -0.119111D+02  0.941757D+01 -0.606721D+00 -0.531782D+01 -0.213894D+01
      6  -0.271533D+01 -0.611450D+00  0.505943D+01 -0.629213D+01  0.110803D+01
                26            27            28            29            30 
      1  -0.161402D+01 -0.544824D+01  0.401479D+02  0.969088D+01 -0.417461D+01
      2   0.662588D+01 -0.595364D+00 -0.207241D+02  0.264917D+00  0.550677D+01
      3  -0.501186D+01  0.604360D+01 -0.194238D+02 -0.995579D+01 -0.133216D+01
      4  -0.457753D+01 -0.184869D+01  0.266122D+02  0.249570D+02 -0.436413D+01
      5   0.158438D+00 -0.653450D+00 -0.117559D+02 -0.466932D+01  0.176264D+02
      6   0.429099D+01  0.610997D+01 -0.948523D+00 -0.120587D+01  0.572367D+01
                31            32            33            34            35 
      1   0.148688D+02  0.222987D+01  0.470435D+00 -0.499577D+01  0.850248D+00
      2  -0.419014D+01  0.111618D+02  0.181086D+01  0.422642D+01 -0.351676D+00
      3  -0.106787D+02 -0.133917D+02 -0.228130D+01  0.769341D+00 -0.498572D+00
      4   0.278731D+02  0.272690D+02 -0.423539D+01 -0.432423D+01 -0.297171D+01
      5  -0.498694D+01 -0.485363D+01  0.963377D+01  0.165450D+02  0.791139D+01
      6  -0.261640D+01 -0.231767D+01  0.915882D+01  0.440380D+01  0.707968D+01
                36            37            38            39            40 
      1   0.304230D+01 -0.193782D+02 -0.521848D+01  0.762353D+01  0.997902D+00
      2  -0.697675D+01  0.112352D+02  0.549520D+01 -0.605310D+01  0.195052D+01
      3   0.393445D+01  0.814293D+01 -0.276724D+00 -0.157043D+01 -0.294843D+01
      4   0.860898D+01 -0.103219D+02  0.529504D+01 -0.371187D+00  0.109043D+02
      5  -0.940892D+01  0.466941D+01 -0.224834D+01  0.476719D+01 -0.177490D+01
      6  -0.376998D+01  0.215595D+01 -0.278851D+01  0.127686D+01 -0.117500D+01
                41            42            43            44            45 
      1  -0.373629D+01  0.380374D+01  0.779842D+01  0.308872D+01  0.327659D+01
      2   0.128868D+02 -0.260413D+01 -0.755161D+01 -0.236368D+01 -0.603370D+01
      3  -0.915052D+01 -0.119960D+01 -0.246815D+00 -0.725039D+00  0.275711D+01
      4   0.822767D+01 -0.365635D+01 -0.155307D+01 -0.977881D+01 -0.609706D+01
      5  -0.420235D+01 -0.488286D+01  0.292107D+01 -0.739208D+01 -0.571118D+01
      6  -0.946327D+01 -0.978160D-02 -0.206004D+01 -0.662285D+01 -0.120213D+02
                46            47            48            49            50 
      1   0.137185D+02  0.860617D+00 -0.790841D+00  0.378207D+01 -0.609907D+01
      2  -0.755390D+01 -0.543753D+01 -0.208943D+01 -0.680275D+01  0.144306D+02
      3  -0.616455D+01  0.457691D+01  0.288028D+01  0.302067D+01 -0.833150D+01
      4  -0.179066D+02  0.161488D+02 -0.597300D+01  0.104437D+02 -0.154769D+02
      5   0.489587D+01 -0.426952D+01  0.109605D+02 -0.271561D+01  0.434984D+01
      6  -0.347848D+01  0.329649D+01 -0.541699D+01  0.123671D+01 -0.495556D+01
                51            52            53            54            55 
      1   0.294794D+01 -0.180488D+01  0.396306D+01 -0.464747D+01 -0.106261D+00
      2   0.378507D+00  0.372293D-01 -0.279492D+01 -0.463366D+01 -0.253932D+01
      3  -0.332645D+01  0.176765D+01 -0.116815D+01  0.928113D+01  0.264558D+01
      4   0.305637D+01 -0.309868D+01  0.448477D+01 -0.693907D+01 -0.966089D+00
      5  -0.272681D+01  0.968995D+01 -0.594022D+01  0.952700D+01  0.167449D+01
      6   0.103484D+02 -0.340822D+01  0.895570D+01 -0.758701D+01 -0.214120D+01
                56            57            58            59            60 
      1  -0.731836D+00  0.213843D+01  0.117627D+01 -0.592857D+01  0.525976D+01
      2   0.526057D+00 -0.104333D+01 -0.441021D+00  0.108252D+01  0.453506D+00
      3   0.205780D+00 -0.109510D+01 -0.735250D+00  0.484606D+01 -0.571327D+01
      4   0.296468D+01 -0.121825D+01  0.342182D+01 -0.387944D+01  0.252212D+01
      5  -0.147845D+01  0.652346D+01 -0.857221D+00  0.230201D+01 -0.344037D+01
      6  -0.518740D+00  0.195152D+00  0.536059D+00 -0.638272D+01  0.102539D+02
                61            62            63            64            65 
      1  -0.139849D+00  0.552629D+01 -0.176658D+02  0.442504D+02 -0.873125D+01
      2  -0.919370D+00  0.246039D+01 -0.139621D+02 -0.165562D+02 -0.575589D+00
      3   0.105922D+01 -0.798668D+01  0.316279D+02 -0.276942D+02  0.930684D+01
      4  -0.863303D+00  0.354704D+01 -0.388079D+01 -0.314921D+02  0.165047D+02
      5   0.510851D+01 -0.287624D+01  0.113804D+02 -0.945658D+00  0.767069D+00
      6  -0.138488D+01  0.825150D+01 -0.137498D+02 -0.171039D+01 -0.360450D+00
                66            67            68            69            70 
      1   0.431406D+01 -0.378105D+01  0.288817D+01 -0.277006D+00  0.795838D+01
      2  -0.977538D+00 -0.188669D+01  0.371006D+01 -0.173432D+00 -0.254226D+01
      3  -0.333653D+01  0.566774D+01 -0.659823D+01  0.450438D+00 -0.541612D+01
      4  -0.214973D+01  0.122374D+02 -0.828798D+01  0.171130D+01 -0.615101D+01
      5   0.733111D+01 -0.570038D-01  0.858566D+00 -0.484120D+00  0.719989D+01
      6  -0.433669D+01  0.592913D+00 -0.184715D+00  0.135351D+01 -0.376397D+01
                71            72            73            74            75 
      1  -0.291830D+00  0.406923D+01  0.292704D+01 -0.180998D+01 -0.271956D+01
      2  -0.152026D+01 -0.385408D+01 -0.330561D+01  0.159601D+01  0.180406D+01
      3   0.181209D+01 -0.215151D+00  0.378563D+00  0.213972D+00  0.915501D+00
      4   0.467085D+01 -0.323280D+01 -0.235376D+01  0.807211D+00  0.734393D+00
      5  -0.132772D+01  0.211976D+01 -0.217529D+01 -0.578149D+00  0.513837D+01
      6   0.165760D+01 -0.125344D+01  0.645726D+00  0.844005D+00  0.134459D+00
                76            77            78            79            80 
      1  -0.189718D+00 -0.251134D+01  0.643920D+00 -0.255048D+01 -0.127689D+01
      2   0.212458D+00 -0.845809D-01  0.512405D+01  0.307563D+01  0.446029D+01
      3  -0.227402D-01  0.259592D+01 -0.576797D+01 -0.525144D+00 -0.318340D+01
      4   0.105398D+00  0.237781D+01 -0.203678D+01  0.206000D+01 -0.396275D+01
      5  -0.231275D+01 -0.169109D+01  0.469177D+01  0.683979D+01  0.722099D+00
      6   0.222306D+00 -0.941410D+00  0.214262D+01 -0.115772D+01  0.430062D+01
                81            82            83            84            85 
      1  -0.124951D+02 -0.232616D+01 -0.102175D+02 -0.718448D+00 -0.862556D+01
      2  -0.180221D+02  0.605401D+01  0.144942D+02  0.203964D+00  0.992580D+01
      3   0.305171D+02 -0.372785D+01 -0.427669D+01  0.514484D+00 -0.130024D+01
      4   0.135695D+01  0.237433D+01  0.249927D+01 -0.871907D+00  0.493937D+01
      5  -0.201416D+02  0.176679D+01  0.105447D+01 -0.383605D+00  0.177452D+01
      6   0.129904D+02  0.293020D+00  0.265118D+01  0.317956D+01  0.159457D+01
                86            87            88            89            90 
      1  -0.238699D+02 -0.152379D+01  0.444244D+00  0.127890D-01 -0.405158D+01
      2   0.389448D+02  0.833935D+00 -0.517644D-01 -0.129851D+01  0.247052D+01
      3  -0.150749D+02  0.689858D+00 -0.392480D+00  0.128572D+01  0.158106D+01
      4  -0.604504D+01 -0.482863D-01 -0.160241D+01  0.104809D+01  0.648826D+00
      5   0.188121D+01 -0.112386D+01  0.762012D+00 -0.246203D+00 -0.107552D+01
      6   0.554683D+01  0.586258D+01  0.215734D+01  0.607321D+01  0.673541D+00
                91            92            93            94            95 
      1   0.416454D+02  0.476971D+01 -0.626168D+01 -0.104209D+01  0.204648D+01
      2  -0.210209D+02 -0.437060D+00  0.305539D+01  0.188395D+01  0.459709D-02
      3  -0.206244D+02 -0.433265D+01  0.320629D+01 -0.841866D+00 -0.205107D+01
      4   0.194961D+02  0.946549D+01 -0.158493D+01  0.556459D+01  0.147207D+01
      5  -0.283354D+01  0.577273D+00  0.593420D+01  0.150844D+01 -0.734884D+00
      6  -0.225820D+01  0.906259D+00  0.300877D+01  0.496527D+00 -0.182095D+00
                96            97            98            99           100 
      1   0.134271D+01 -0.997616D+01 -0.943540D-01  0.382399D+01  0.169279D+01
      2  -0.970837D+00  0.637018D+01 -0.451903D+00 -0.290045D+01 -0.792071D+00
      3  -0.371871D+00  0.360598D+01  0.546257D+00 -0.923536D+00 -0.900718D+00
      4  -0.398709D+00 -0.456321D+01 -0.111896D+01  0.195695D+01  0.382634D+01
      5  -0.760125D-01  0.595696D+01  0.137465D+01 -0.243289D+01  0.257065D+01
      6   0.139934D+01  0.162552D+01  0.212493D+01 -0.125193D+01  0.258588D+01
               101           102           103           104           105 
      1   0.195636D+01  0.183845D+01  0.161673D+01 -0.753912D+01 -0.507589D+01
      2  -0.644125D+00 -0.423197D+00 -0.200299D+00  0.923815D+01  0.456740D+01
      3  -0.131223D+01 -0.141525D+01 -0.141643D+01 -0.169902D+01  0.508493D+00
      4   0.463319D+01  0.340498D+01  0.583259D+01  0.106370D+02  0.701689D+01
      5   0.306371D+01  0.337772D+01  0.343110D+01  0.755696D+01  0.890928D+01
      6   0.756393D+00  0.381487D+00  0.388039D+01  0.133092D+02  0.134107D+02
               106           107           108           109           110 
      1   0.187081D+01 -0.727424D+01 -0.984722D+01 -0.664569D+01 -0.382156D+01
      2  -0.923290D+00  0.421362D+01  0.178402D+01  0.517676D+01  0.372900D+01
      3  -0.947520D+00  0.306062D+01  0.806319D+01  0.146893D+01  0.925651D-01
      4   0.510025D+01  0.104320D+02  0.902130D+01  0.876369D+01 -0.300804D+01
      5   0.534486D+01  0.106226D+02  0.128948D+02 -0.120934D+01  0.813592D+00
      6   0.366386D+01  0.158102D+02  0.179730D+02  0.227810D+01 -0.290412D+01
               111           112           113           114           115 
      1   0.228938D+01 -0.285155D+01 -0.907332D+01  0.298335D+01  0.236080D+00
      2  -0.252871D+00  0.173368D+01  0.121621D+02 -0.289149D+01 -0.239409D+00
      3  -0.203651D+01  0.111787D+01 -0.308881D+01 -0.918679D-01  0.332826D-02
      4   0.243552D+01  0.445557D+01 -0.286146D+01  0.127880D+01  0.199617D+00
      5  -0.361481D+01 -0.541961D+00  0.379483D-01 -0.761948D+00  0.657575D+00
      6   0.230280D+01  0.431871D+00 -0.495148D+01  0.425281D+01  0.402430D+00
               116           117 
      1   0.279681D+01 -0.360719D+01
      2  -0.200648D+01  0.149485D+01
      3  -0.790334D+00  0.211233D+01
      4  -0.854403D+00  0.135066D+00
      5  -0.296740D+00 -0.129946D+01
      6   0.396993D+01 -0.379930D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.212736D+01      0.540721D+01      0.180365D+02
   x         -0.204539D+01     -0.519886D+01     -0.173415D+02
   y         -0.532799D+00     -0.135424D+01     -0.451726D+01
   z         -0.241207D+00     -0.613088D+00     -0.204504D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.508228D+02      0.753117D+01      0.837955D+01
   aniso      0.122820D+02      0.182000D+01      0.202502D+01
   xx         0.553894D+02      0.820786D+01      0.913248D+01
   yx         0.207467D+01      0.307434D+00      0.342067D+00
   yy         0.536254D+02      0.794646D+01      0.884163D+01
   zx        -0.370775D+00     -0.549432D-01     -0.611326D-01
   zy        -0.208194D+01     -0.308512D+00     -0.343266D+00
   zz         0.434537D+02      0.643917D+01      0.716455D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.556718D+02      0.824971D+01      0.917904D+01
   aniso      0.132023D+02      0.195638D+01      0.217676D+01
   xx         0.607051D+02      0.899557D+01      0.100089D+02
   yx         0.216635D+01      0.321020D+00      0.357183D+00
   yy         0.585095D+02      0.867021D+01      0.964691D+01
   zx        -0.236037D+00     -0.349771D-01     -0.389173D-01
   zy        -0.238350D+01     -0.353198D+00     -0.392986D+00
   zz         0.478007D+02      0.708334D+01      0.788128D+01

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -1.79452114         -2.46004239          1.55593743
     6          0.50634895         -0.77050280          1.13414793
     6          0.42959403          0.24303526         -1.58861138
     8          0.87480461         -1.05583051         -3.39401842
     7          0.50627791          1.35027491          2.92599172
     8         -0.24153940          2.67602014         -1.76390328
     1          2.21607941         -1.92159272          1.27192067
     1         -1.69942173         -3.35526120          3.41214081
     1         -3.53367694         -1.35457945          1.44456726
     1         -1.86287010         -3.93023335          0.11966351
     1         -0.42693113          0.92198369          4.53810353
     1          2.27951136          1.89426448          3.39406366
     1         -0.43128308          3.25706455         -0.00786061

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.212736D+01      0.540721D+01      0.180365D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.212736D+01      0.540721D+01      0.180365D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.508228D+02      0.753117D+01      0.837955D+01
   aniso      0.122820D+02      0.182000D+01      0.202502D+01
   xx         0.433761D+02      0.642768D+01      0.715176D+01
   yx         0.369938D+00      0.548191D-01      0.609945D-01
   yy         0.531669D+02      0.787853D+01      0.876605D+01
   zx        -0.194149D+01     -0.287699D+00     -0.320109D+00
   zy         0.169820D+01      0.251647D+00      0.279995D+00
   zz         0.559254D+02      0.828729D+01      0.922085D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.556718D+02      0.824971D+01      0.917904D+01
   aniso      0.132023D+02      0.195638D+01      0.217676D+01
   xx         0.476001D+02      0.705360D+01      0.784819D+01
   yx         0.216571D+00      0.320925D-01      0.357077D-01
   yy         0.581573D+02      0.861802D+01      0.958884D+01
   zx        -0.201335D+01     -0.298348D+00     -0.331956D+00
   zy         0.165282D+01      0.244923D+00      0.272513D+00
   zz         0.612580D+02      0.907750D+01      0.101001D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-U22-16\Freq\RB3LYP\Gen\C3H7N1O2\PIERPA\12-Aug-2021\0\\#P 
 B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoSymm
 ,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq\\ROA calculat
 ions.\\0,1\C,-1.23436,1.227627,0.493636\C,-0.619746,0.176499,-0.427789
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 Money is a good servant but a bad master.
                        -- French Proverb
 Job cpu time:       0 days  0 hours 23 minutes  5.5 seconds.
 Elapsed time:       0 days  0 hours  3 minutes  0.1 seconds.
 File lengths (MBytes):  RWF=    119 Int=      0 D2E=      0 Chk=      5 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 17:29:42 2021.
